Iron in PDB 8w6x: Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
Enzymatic activity of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
All present enzymatic activity of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State:
1.12.2.1;
Protein crystallography data
The structure of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State, PDB code: 8w6x
was solved by
T.Hiromoto,
T.Tamada,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
N/A /
1.04
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
66.705,
98.485,
126.86,
90,
90,
90
|
|
R / Rfree (%)
|
18.9 /
22
|
Other elements in 8w6x:
The structure of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Iron atom in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
(pdb code 8w6x). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the
Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State, PDB code: 8w6x:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 12 in 8w6x
Go back to
Iron Binding Sites List in 8w6x
Iron binding site 1 out
of 12 in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Fe601
b:7.8
occ:1.00
|
FE
|
L:NFU601
|
0.0
|
7.8
|
1.0
|
|
C3
|
L:NFU601
|
1.8
|
10.0
|
1.0
|
|
C1
|
L:NFU601
|
1.9
|
9.1
|
1.0
|
|
C2
|
L:NFU601
|
1.9
|
8.8
|
1.0
|
|
O
|
L:OH608
|
2.1
|
8.1
|
0.7
|
|
OD
|
L:CYS546
|
2.3
|
11.7
|
0.3
|
|
SG
|
L:CYS84
|
2.3
|
9.3
|
1.0
|
|
SG
|
L:CYS549
|
2.3
|
7.6
|
0.7
|
|
SG
|
L:CYS549
|
2.6
|
12.9
|
0.3
|
|
O3
|
L:NFU601
|
2.9
|
10.6
|
1.0
|
|
NI
|
L:NFU601
|
2.9
|
9.6
|
0.7
|
|
N1
|
L:NFU601
|
3.0
|
9.1
|
1.0
|
|
N2
|
L:NFU601
|
3.1
|
9.2
|
1.0
|
|
HD2
|
L:ARG479
|
3.2
|
3.0
|
1.0
|
|
HB3
|
L:CYS84
|
3.2
|
5.2
|
1.0
|
|
SG
|
L:CYS546
|
3.3
|
10.7
|
0.3
|
|
CB
|
L:CYS84
|
3.3
|
8.8
|
1.0
|
|
DE2
|
L:HIS88
|
3.4
|
20.5
|
0.1
|
|
HE2
|
L:HIS88
|
3.4
|
4.6
|
0.9
|
|
CB
|
L:CYS549
|
3.4
|
9.3
|
0.7
|
|
HB3
|
L:CYS549
|
3.5
|
13.4
|
0.7
|
|
SG
|
L:CYS81
|
3.5
|
10.4
|
0.3
|
|
HB3
|
L:CYS546
|
3.6
|
10.1
|
0.3
|
|
HB2
|
L:CYS84
|
3.7
|
10.5
|
1.0
|
|
HB2
|
L:CYS549
|
3.7
|
9.5
|
0.7
|
|
DH11
|
L:ARG479
|
3.7
|
5.3
|
0.8
|
|
HH11
|
L:ARG479
|
3.7
|
9.1
|
0.2
|
|
HB3
|
L:CYS546
|
3.8
|
7.5
|
0.7
|
|
CB
|
L:CYS549
|
3.8
|
12.3
|
0.3
|
|
DG1
|
L:THR87
|
3.9
|
3.3
|
0.4
|
|
HG1
|
L:THR87
|
3.9
|
15.7
|
0.6
|
|
CB
|
L:CYS546
|
3.9
|
8.7
|
0.3
|
|
HB3
|
L:CYS549
|
3.9
|
11.1
|
0.3
|
|
HB2
|
L:CYS549
|
4.0
|
12.6
|
0.3
|
|
NI
|
L:NFU601
|
4.0
|
11.1
|
0.3
|
|
HB2
|
L:ARG479
|
4.0
|
4.6
|
1.0
|
|
HD2
|
L:PRO501
|
4.0
|
11.1
|
1.0
|
|
HB2
|
L:CYS546
|
4.0
|
8.7
|
0.3
|
|
HG12
|
L:VAL500
|
4.1
|
14.9
|
1.0
|
|
HG2
|
L:PRO501
|
4.1
|
8.5
|
1.0
|
|
HG13
|
L:VAL500
|
4.2
|
6.8
|
1.0
|
|
CD
|
L:ARG479
|
4.2
|
9.3
|
1.0
|
|
NE2
|
L:HIS88
|
4.3
|
10.0
|
1.0
|
|
HG11
|
L:VAL500
|
4.3
|
10.7
|
1.0
|
|
CG1
|
L:VAL500
|
4.4
|
10.4
|
1.0
|
|
HB3
|
L:CYS81
|
4.4
|
7.1
|
0.7
|
|
SG
|
L:CYS546
|
4.4
|
8.9
|
0.7
|
|
CB
|
L:CYS546
|
4.4
|
8.7
|
0.7
|
|
HB2
|
L:CYS81
|
4.4
|
9.6
|
0.3
|
|
NH1
|
L:ARG479
|
4.4
|
9.4
|
1.0
|
|
H
|
L:CYS84
|
4.5
|
4.5
|
0.8
|
|
D
|
L:CYS84
|
4.5
|
13.9
|
0.2
|
|
HB2
|
L:CYS546
|
4.5
|
10.1
|
0.7
|
|
HD3
|
L:ARG479
|
4.5
|
21.1
|
1.0
|
|
CB
|
L:CYS81
|
4.6
|
10.0
|
0.3
|
|
HB2
|
L:ALA477
|
4.7
|
6.7
|
1.0
|
|
OG1
|
L:THR87
|
4.7
|
9.2
|
1.0
|
|
CA
|
L:CYS84
|
4.8
|
9.5
|
1.0
|
|
CA
|
L:CYS549
|
4.8
|
8.0
|
0.7
|
|
HB2
|
L:CYS81
|
4.8
|
5.5
|
0.7
|
|
SG
|
L:CYS81
|
4.8
|
10.3
|
0.7
|
|
H
|
L:SER502
|
4.9
|
4.2
|
0.8
|
|
D
|
L:SER502
|
4.9
|
20.4
|
0.2
|
|
HA
|
L:CYS549
|
4.9
|
11.8
|
0.7
|
|
CD
|
L:PRO501
|
4.9
|
10.4
|
1.0
|
|
CB
|
L:CYS81
|
4.9
|
8.2
|
0.7
|
|
HB3
|
L:CYS81
|
4.9
|
11.8
|
0.3
|
|
HB3
|
L:ALA477
|
4.9
|
14.7
|
1.0
|
|
NE
|
L:ARG479
|
5.0
|
9.1
|
1.0
|
|
HD2
|
L:HIS88
|
5.0
|
15.9
|
1.0
|
|
CB
|
L:ARG479
|
5.0
|
7.5
|
1.0
|
|
HH12
|
L:ARG479
|
5.0
|
15.2
|
0.5
|
|
DH12
|
L:ARG479
|
5.0
|
4.0
|
0.5
|
|
CG
|
L:PRO501
|
5.0
|
10.1
|
1.0
|
|
D
|
L:ARG479
|
5.0
|
18.6
|
0.1
|
|
H
|
L:ARG479
|
5.0
|
5.9
|
0.9
|
|
Iron binding site 2 out
of 12 in 8w6x
Go back to
Iron Binding Sites List in 8w6x
Iron binding site 2 out
of 12 in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Fe1001
b:8.7
occ:1.00
|
FE1
|
S:SF41001
|
0.0
|
8.7
|
1.0
|
|
S4
|
S:SF41001
|
2.2
|
8.0
|
1.0
|
|
SG
|
S:CYS17
|
2.3
|
8.0
|
1.0
|
|
S3
|
S:SF41001
|
2.3
|
8.2
|
1.0
|
|
S2
|
S:SF41001
|
2.3
|
7.8
|
1.0
|
|
FE2
|
S:SF41001
|
2.7
|
7.9
|
1.0
|
|
FE3
|
S:SF41001
|
2.7
|
7.7
|
1.0
|
|
FE4
|
S:SF41001
|
2.7
|
7.8
|
1.0
|
|
HG
|
S:CYS17
|
2.8
|
8.5
|
0.5
|
|
D
|
S:CYS17
|
3.0
|
20.3
|
0.3
|
|
H
|
S:CYS17
|
3.0
|
4.8
|
0.7
|
|
HB3
|
S:CYS17
|
3.2
|
8.2
|
1.0
|
|
DE2
|
L:HIS235
|
3.3
|
15.4
|
0.2
|
|
HE2
|
L:HIS235
|
3.3
|
4.5
|
0.8
|
|
H
|
S:GLY19
|
3.3
|
9.5
|
0.5
|
|
CB
|
S:CYS17
|
3.4
|
8.3
|
1.0
|
|
D1
|
S:HOH1186
|
3.7
|
7.0
|
1.0
|
|
HG3
|
L:ARG79
|
3.7
|
7.7
|
1.0
|
|
N
|
S:CYS17
|
3.8
|
9.0
|
1.0
|
|
S1
|
S:SF41001
|
3.8
|
7.8
|
1.0
|
|
HA3
|
S:GLY19
|
3.9
|
7.9
|
1.0
|
|
H
|
S:CYS20
|
3.9
|
9.1
|
0.2
|
|
D
|
S:CYS20
|
3.9
|
8.6
|
0.8
|
|
CA
|
S:CYS17
|
4.1
|
7.9
|
1.0
|
|
N
|
S:GLY19
|
4.2
|
9.5
|
1.0
|
|
NE2
|
L:HIS235
|
4.2
|
8.5
|
1.0
|
|
HB2
|
S:CYS17
|
4.3
|
5.9
|
1.0
|
|
D
|
S:THR18
|
4.3
|
6.3
|
0.5
|
|
H
|
S:THR18
|
4.3
|
11.4
|
0.5
|
|
CA
|
S:GLY19
|
4.5
|
9.1
|
1.0
|
|
HB3
|
L:ARG79
|
4.5
|
12.8
|
1.0
|
|
C
|
S:CYS17
|
4.5
|
8.3
|
1.0
|
|
O
|
S:HOH1186
|
4.5
|
8.6
|
1.0
|
|
HA
|
S:GLU16
|
4.5
|
10.3
|
1.0
|
|
N
|
S:THR18
|
4.6
|
8.5
|
1.0
|
|
N
|
S:CYS20
|
4.6
|
8.4
|
1.0
|
|
HA
|
L:ARG79
|
4.6
|
4.0
|
1.0
|
|
HD2
|
L:HIS235
|
4.6
|
11.4
|
1.0
|
|
CG
|
L:ARG79
|
4.7
|
7.7
|
1.0
|
|
SG
|
S:CYS114
|
4.7
|
8.6
|
1.0
|
|
SG
|
S:CYS150
|
4.7
|
7.7
|
1.0
|
|
HB2
|
S:GLU16
|
4.7
|
9.0
|
1.0
|
|
SG
|
S:CYS20
|
4.8
|
8.3
|
1.0
|
|
CD2
|
L:HIS235
|
4.8
|
8.3
|
1.0
|
|
HG2
|
L:ARG79
|
4.9
|
7.5
|
1.0
|
|
HG13
|
S:VAL120
|
4.9
|
9.8
|
1.0
|
|
C
|
S:GLU16
|
4.9
|
8.6
|
1.0
|
|
C
|
S:GLY19
|
5.0
|
8.1
|
1.0
|
|
O
|
L:ARG79
|
5.0
|
8.3
|
1.0
|
|
Iron binding site 3 out
of 12 in 8w6x
Go back to
Iron Binding Sites List in 8w6x
Iron binding site 3 out
of 12 in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Fe1001
b:7.9
occ:1.00
|
FE2
|
S:SF41001
|
0.0
|
7.9
|
1.0
|
|
S3
|
S:SF41001
|
2.2
|
8.2
|
1.0
|
|
S4
|
S:SF41001
|
2.3
|
8.0
|
1.0
|
|
SG
|
S:CYS114
|
2.3
|
8.6
|
1.0
|
|
S1
|
S:SF41001
|
2.3
|
7.8
|
1.0
|
|
FE3
|
S:SF41001
|
2.6
|
7.7
|
1.0
|
|
FE1
|
S:SF41001
|
2.7
|
8.7
|
1.0
|
|
FE4
|
S:SF41001
|
2.7
|
7.8
|
1.0
|
|
HB2
|
S:CYS114
|
2.9
|
18.3
|
1.0
|
|
D
|
S:CYS114
|
3.2
|
20.2
|
0.3
|
|
H
|
S:CYS114
|
3.2
|
4.0
|
0.7
|
|
CB
|
S:CYS114
|
3.2
|
9.8
|
1.0
|
|
D1
|
S:HOH1137
|
3.2
|
16.7
|
1.0
|
|
D1
|
S:HOH1186
|
3.3
|
7.0
|
1.0
|
|
D1
|
S:HOH1312
|
3.4
|
12.4
|
1.0
|
|
S2
|
S:SF41001
|
3.8
|
7.8
|
1.0
|
|
D2
|
S:HOH1312
|
3.9
|
17.4
|
1.0
|
|
HB3
|
S:CYS114
|
4.0
|
12.2
|
1.0
|
|
HA
|
S:GLU16
|
4.0
|
10.3
|
1.0
|
|
D
|
S:CYS17
|
4.0
|
20.3
|
0.3
|
|
H
|
S:CYS17
|
4.0
|
4.8
|
0.7
|
|
N
|
S:CYS114
|
4.0
|
9.1
|
1.0
|
|
O
|
S:HOH1137
|
4.0
|
8.6
|
1.0
|
|
O
|
S:HOH1312
|
4.1
|
9.2
|
1.0
|
|
O
|
S:HOH1186
|
4.2
|
8.6
|
1.0
|
|
CA
|
S:CYS114
|
4.2
|
8.3
|
1.0
|
|
D2
|
S:HOH1186
|
4.3
|
12.7
|
1.0
|
|
DE22
|
S:GLN121
|
4.4
|
21.9
|
0.2
|
|
HE22
|
S:GLN121
|
4.4
|
5.8
|
0.8
|
|
HG13
|
S:VAL120
|
4.4
|
9.8
|
1.0
|
|
HA2
|
S:GLY76
|
4.5
|
17.6
|
1.0
|
|
SG
|
S:CYS150
|
4.5
|
7.7
|
1.0
|
|
H
|
S:VAL120
|
4.5
|
8.4
|
0.4
|
|
D
|
S:VAL120
|
4.5
|
8.8
|
0.6
|
|
SG
|
S:CYS20
|
4.7
|
8.3
|
1.0
|
|
D2
|
S:HOH1137
|
4.7
|
28.4
|
1.0
|
|
HA3
|
S:GLY119
|
4.7
|
9.6
|
1.0
|
|
HA
|
S:CYS114
|
4.7
|
4.4
|
1.0
|
|
HB3
|
S:CYS17
|
4.8
|
8.2
|
1.0
|
|
HA
|
S:CYS150
|
4.8
|
4.1
|
1.0
|
|
HA3
|
S:GLY112
|
4.8
|
10.2
|
1.0
|
|
SG
|
S:CYS17
|
4.8
|
8.0
|
1.0
|
|
N
|
S:CYS17
|
4.9
|
9.0
|
1.0
|
|
HB3
|
S:GLU16
|
4.9
|
12.1
|
1.0
|
|
D
|
S:GLY76
|
4.9
|
18.0
|
0.3
|
|
H
|
S:GLY76
|
4.9
|
4.2
|
0.7
|
|
HB2
|
S:GLU16
|
5.0
|
9.0
|
1.0
|
|
HG3
|
L:ARG79
|
5.0
|
7.7
|
1.0
|
|
CA
|
S:GLU16
|
5.0
|
9.0
|
1.0
|
|
HB
|
S:THR113
|
5.0
|
7.2
|
1.0
|
|
D
|
S:ALA115
|
5.0
|
16.2
|
0.4
|
|
H
|
S:ALA115
|
5.0
|
4.5
|
0.6
|
|
Iron binding site 4 out
of 12 in 8w6x
Go back to
Iron Binding Sites List in 8w6x
Iron binding site 4 out
of 12 in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Fe1001
b:7.7
occ:1.00
|
FE3
|
S:SF41001
|
0.0
|
7.7
|
1.0
|
|
S2
|
S:SF41001
|
2.2
|
7.8
|
1.0
|
|
SG
|
S:CYS150
|
2.3
|
7.7
|
1.0
|
|
S1
|
S:SF41001
|
2.3
|
7.8
|
1.0
|
|
S4
|
S:SF41001
|
2.3
|
8.0
|
1.0
|
|
FE2
|
S:SF41001
|
2.6
|
7.9
|
1.0
|
|
FE1
|
S:SF41001
|
2.7
|
8.7
|
1.0
|
|
FE4
|
S:SF41001
|
2.7
|
7.8
|
1.0
|
|
HA
|
S:CYS150
|
2.8
|
4.1
|
1.0
|
|
D2
|
S:HOH1312
|
3.2
|
17.4
|
1.0
|
|
HG3
|
L:ARG79
|
3.4
|
7.7
|
1.0
|
|
CB
|
S:CYS150
|
3.4
|
9.2
|
1.0
|
|
CA
|
S:CYS150
|
3.5
|
8.3
|
1.0
|
|
D1
|
S:HOH1312
|
3.7
|
12.4
|
1.0
|
|
DE
|
L:ARG79
|
3.8
|
19.6
|
0.4
|
|
HE
|
L:ARG79
|
3.8
|
7.0
|
0.6
|
|
C
|
S:CYS150
|
3.8
|
8.2
|
1.0
|
|
HD2
|
L:HIS235
|
3.8
|
11.4
|
1.0
|
|
S3
|
S:SF41001
|
3.8
|
8.2
|
1.0
|
|
HG2
|
L:ARG79
|
3.8
|
7.5
|
1.0
|
|
HB2
|
S:CYS150
|
3.9
|
14.6
|
1.0
|
|
O
|
S:HOH1312
|
3.9
|
9.2
|
1.0
|
|
HA
|
S:PRO151
|
4.0
|
11.8
|
1.0
|
|
DE2
|
L:HIS235
|
4.0
|
15.4
|
0.2
|
|
HE2
|
L:HIS235
|
4.0
|
4.5
|
0.8
|
|
CG
|
L:ARG79
|
4.1
|
7.7
|
1.0
|
|
O
|
S:CYS150
|
4.2
|
8.5
|
1.0
|
|
HB3
|
S:CYS150
|
4.3
|
10.0
|
1.0
|
|
N
|
S:PRO151
|
4.3
|
7.3
|
1.0
|
|
SG
|
S:CYS114
|
4.4
|
8.6
|
1.0
|
|
D
|
S:CYS114
|
4.4
|
20.2
|
0.3
|
|
H
|
S:CYS114
|
4.4
|
4.0
|
0.7
|
|
HB
|
S:THR113
|
4.6
|
7.2
|
1.0
|
|
CD2
|
L:HIS235
|
4.6
|
8.3
|
1.0
|
|
HZ2
|
S:TRP258
|
4.6
|
6.4
|
1.0
|
|
SG
|
S:CYS17
|
4.6
|
8.0
|
1.0
|
|
NE2
|
L:HIS235
|
4.7
|
8.5
|
1.0
|
|
CA
|
S:PRO151
|
4.7
|
8.6
|
1.0
|
|
NE
|
L:ARG79
|
4.7
|
8.9
|
1.0
|
|
HB3
|
S:PRO151
|
4.7
|
8.2
|
1.0
|
|
O
|
S:GLY149
|
4.7
|
8.6
|
1.0
|
|
SG
|
S:CYS20
|
4.7
|
8.3
|
1.0
|
|
D
|
S:THR113
|
4.8
|
12.6
|
0.3
|
|
H
|
S:THR113
|
4.8
|
4.0
|
0.7
|
|
N
|
S:CYS150
|
4.8
|
8.2
|
1.0
|
|
HB3
|
L:ARG79
|
4.8
|
12.8
|
1.0
|
|
HD3
|
S:PRO151
|
4.8
|
10.8
|
1.0
|
|
D1
|
S:HOH1137
|
4.9
|
16.7
|
1.0
|
|
D1
|
S:HOH1186
|
5.0
|
7.0
|
1.0
|
|
Iron binding site 5 out
of 12 in 8w6x
Go back to
Iron Binding Sites List in 8w6x
Iron binding site 5 out
of 12 in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Fe1001
b:7.8
occ:1.00
|
FE4
|
S:SF41001
|
0.0
|
7.8
|
1.0
|
|
S1
|
S:SF41001
|
2.2
|
7.8
|
1.0
|
|
SG
|
S:CYS20
|
2.2
|
8.3
|
1.0
|
|
S3
|
S:SF41001
|
2.3
|
8.2
|
1.0
|
|
S2
|
S:SF41001
|
2.3
|
7.8
|
1.0
|
|
FE2
|
S:SF41001
|
2.7
|
7.9
|
1.0
|
|
FE1
|
S:SF41001
|
2.7
|
8.7
|
1.0
|
|
FE3
|
S:SF41001
|
2.7
|
7.7
|
1.0
|
|
H
|
S:CYS20
|
3.2
|
9.1
|
0.2
|
|
D
|
S:CYS20
|
3.2
|
8.6
|
0.8
|
|
D1
|
S:HOH1137
|
3.2
|
16.7
|
1.0
|
|
CB
|
S:CYS20
|
3.5
|
9.2
|
1.0
|
|
HB2
|
S:CYS20
|
3.5
|
13.7
|
1.0
|
|
HA
|
S:PRO151
|
3.5
|
11.8
|
1.0
|
|
HB3
|
S:PRO151
|
3.6
|
8.2
|
1.0
|
|
HA3
|
S:GLY112
|
3.6
|
10.2
|
1.0
|
|
N
|
S:CYS20
|
3.7
|
8.4
|
1.0
|
|
HA
|
S:CYS150
|
3.7
|
4.1
|
1.0
|
|
S4
|
S:SF41001
|
3.9
|
8.0
|
1.0
|
|
O
|
S:HOH1137
|
3.9
|
8.6
|
1.0
|
|
CA
|
S:CYS20
|
4.1
|
8.7
|
1.0
|
|
D2
|
S:HOH1137
|
4.1
|
28.4
|
1.0
|
|
HG3
|
S:GLU75
|
4.1
|
6.2
|
1.0
|
|
HD3
|
S:PRO152
|
4.1
|
3.5
|
1.0
|
|
HA
|
S:CYS20
|
4.2
|
15.5
|
1.0
|
|
D
|
S:CYS114
|
4.3
|
20.2
|
0.3
|
|
H
|
S:CYS114
|
4.3
|
4.0
|
0.7
|
|
CA
|
S:PRO151
|
4.3
|
8.6
|
1.0
|
|
HB3
|
S:CYS20
|
4.4
|
9.4
|
1.0
|
|
CB
|
S:PRO151
|
4.4
|
8.3
|
1.0
|
|
C
|
S:GLY19
|
4.5
|
8.1
|
1.0
|
|
HB2
|
S:CYS114
|
4.5
|
18.3
|
1.0
|
|
HA3
|
S:GLY19
|
4.5
|
7.9
|
1.0
|
|
HG
|
S:CYS17
|
4.5
|
8.5
|
0.5
|
|
CA
|
S:GLY112
|
4.5
|
8.4
|
1.0
|
|
H
|
S:GLY19
|
4.6
|
9.5
|
0.5
|
|
D
|
S:CYS17
|
4.6
|
20.3
|
0.3
|
|
H
|
S:CYS17
|
4.6
|
4.8
|
0.7
|
|
HA2
|
S:GLY112
|
4.6
|
9.7
|
1.0
|
|
OE2
|
S:GLU75
|
4.7
|
10.2
|
1.0
|
|
SG
|
S:CYS17
|
4.7
|
8.0
|
1.0
|
|
D
|
S:THR113
|
4.7
|
12.6
|
0.3
|
|
H
|
S:THR113
|
4.7
|
4.0
|
0.7
|
|
O
|
S:GLY149
|
4.7
|
8.6
|
1.0
|
|
CA
|
S:CYS150
|
4.8
|
8.3
|
1.0
|
|
N
|
S:PRO151
|
4.8
|
7.3
|
1.0
|
|
SG
|
S:CYS150
|
4.9
|
7.7
|
1.0
|
|
SG
|
S:CYS114
|
4.9
|
8.6
|
1.0
|
|
CA
|
S:GLY19
|
4.9
|
9.1
|
1.0
|
|
HB2
|
S:PRO151
|
4.9
|
5.0
|
1.0
|
|
N
|
S:GLY19
|
5.0
|
9.5
|
1.0
|
|
Iron binding site 6 out
of 12 in 8w6x
Go back to
Iron Binding Sites List in 8w6x
Iron binding site 6 out
of 12 in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Fe1002
b:10.4
occ:1.00
|
FE1
|
S:SF41002
|
0.0
|
10.4
|
1.0
|
|
ND1
|
S:HIS188
|
2.0
|
12.4
|
1.0
|
|
S3
|
S:SF41002
|
2.2
|
10.9
|
1.0
|
|
S2
|
S:SF41002
|
2.3
|
11.8
|
1.0
|
|
S4
|
S:SF41002
|
2.3
|
10.3
|
1.0
|
|
FE4
|
S:SF41002
|
2.7
|
11.6
|
1.0
|
|
FE3
|
S:SF41002
|
2.7
|
11.8
|
1.0
|
|
FE2
|
S:SF41002
|
2.7
|
10.2
|
1.0
|
|
CE1
|
S:HIS188
|
2.9
|
13.6
|
1.0
|
|
HE1
|
S:HIS188
|
3.1
|
14.6
|
1.0
|
|
CG
|
S:HIS188
|
3.1
|
12.2
|
1.0
|
|
HA
|
S:HIS188
|
3.2
|
10.4
|
1.0
|
|
HB2
|
S:HIS188
|
3.4
|
14.3
|
1.0
|
|
HG3
|
S:PRO225
|
3.6
|
15.9
|
1.0
|
|
HD3
|
S:PRO225
|
3.6
|
8.3
|
1.0
|
|
CB
|
S:HIS188
|
3.6
|
11.5
|
1.0
|
|
S1
|
S:SF41002
|
3.8
|
11.8
|
1.0
|
|
CA
|
S:HIS188
|
3.9
|
10.5
|
1.0
|
|
HB3
|
S:CYS191
|
3.9
|
13.0
|
1.0
|
|
HA3
|
S:GLY224
|
4.0
|
13.7
|
1.0
|
|
NE2
|
S:HIS188
|
4.1
|
13.3
|
1.0
|
|
HB2
|
S:PHE197
|
4.2
|
16.7
|
0.6
|
|
HD2
|
S:PHE197
|
4.2
|
11.0
|
0.6
|
|
CD2
|
S:HIS188
|
4.2
|
14.4
|
1.0
|
|
HB2
|
S:CYS191
|
4.3
|
13.2
|
1.0
|
|
HB2
|
S:PHE197
|
4.3
|
12.4
|
0.4
|
|
HD12
|
S:LEU194
|
4.4
|
12.6
|
1.0
|
|
CG
|
S:PRO225
|
4.4
|
11.9
|
1.0
|
|
CD
|
S:PRO225
|
4.4
|
10.7
|
1.0
|
|
CB
|
S:CYS191
|
4.5
|
12.3
|
1.0
|
|
O
|
S:HIS188
|
4.5
|
12.2
|
1.0
|
|
HD2
|
S:PHE197
|
4.6
|
11.7
|
0.4
|
|
CD2
|
S:PHE197
|
4.6
|
13.5
|
0.6
|
|
SG
|
S:CYS216
|
4.6
|
12.1
|
1.0
|
|
SG
|
S:CYS191
|
4.6
|
10.7
|
1.0
|
|
HA
|
S:LEU194
|
4.6
|
9.2
|
1.0
|
|
HB2
|
S:TYR218
|
4.6
|
15.2
|
0.6
|
|
HB3
|
S:HIS188
|
4.7
|
9.3
|
1.0
|
|
C
|
S:HIS188
|
4.7
|
11.2
|
1.0
|
|
SG
|
S:CYS222
|
4.8
|
9.6
|
1.0
|
|
HG2
|
S:PRO225
|
4.8
|
11.6
|
1.0
|
|
CD2
|
S:PHE197
|
4.8
|
12.1
|
0.4
|
|
HD1
|
S:TYR218
|
4.9
|
12.1
|
0.6
|
|
N
|
S:PRO225
|
4.9
|
9.9
|
1.0
|
|
HB3
|
S:CYS222
|
4.9
|
13.1
|
1.0
|
|
CB
|
S:PHE197
|
4.9
|
14.8
|
0.6
|
|
HD13
|
S:LEU194
|
4.9
|
16.0
|
1.0
|
|
CG
|
S:PHE197
|
5.0
|
13.7
|
0.6
|
|
CA
|
S:GLY224
|
5.0
|
10.4
|
1.0
|
|
HB2
|
S:ARG193
|
5.0
|
6.4
|
1.0
|
|
HE2
|
S:HIS188
|
5.0
|
19.1
|
0.4
|
|
DE2
|
S:HIS188
|
5.0
|
8.7
|
0.6
|
|
Iron binding site 7 out
of 12 in 8w6x
Go back to
Iron Binding Sites List in 8w6x
Iron binding site 7 out
of 12 in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Fe1002
b:10.2
occ:1.00
|
FE2
|
S:SF41002
|
0.0
|
10.2
|
1.0
|
|
S4
|
S:SF41002
|
2.2
|
10.3
|
1.0
|
|
S1
|
S:SF41002
|
2.2
|
11.8
|
1.0
|
|
S3
|
S:SF41002
|
2.3
|
10.9
|
1.0
|
|
SG
|
S:CYS222
|
2.3
|
9.6
|
1.0
|
|
FE3
|
S:SF41002
|
2.7
|
11.8
|
1.0
|
|
FE1
|
S:SF41002
|
2.7
|
10.4
|
1.0
|
|
FE4
|
S:SF41002
|
2.7
|
11.6
|
1.0
|
|
HB3
|
S:CYS222
|
3.0
|
13.1
|
1.0
|
|
CB
|
S:CYS222
|
3.2
|
10.3
|
1.0
|
|
HG22
|
S:VAL243
|
3.4
|
10.1
|
1.0
|
|
HB2
|
S:CYS222
|
3.6
|
13.1
|
1.0
|
|
HD3
|
S:PRO225
|
3.7
|
8.3
|
1.0
|
|
HA3
|
S:GLY224
|
3.7
|
13.7
|
1.0
|
|
H
|
S:GLY224
|
3.8
|
7.7
|
0.9
|
|
D
|
S:GLY224
|
3.8
|
24.5
|
0.1
|
|
S2
|
S:SF41002
|
3.8
|
11.8
|
1.0
|
|
HB2
|
S:LEU217
|
3.9
|
16.6
|
1.0
|
|
D
|
S:LEU217
|
3.9
|
25.7
|
0.0
|
|
H
|
S:LEU217
|
3.9
|
6.3
|
1.0
|
|
HG11
|
S:VAL243
|
4.4
|
19.1
|
1.0
|
|
CG2
|
S:VAL243
|
4.4
|
13.6
|
1.0
|
|
HG21
|
S:VAL243
|
4.5
|
20.6
|
1.0
|
|
N
|
S:GLY224
|
4.5
|
11.2
|
1.0
|
|
D
|
S:CYS249
|
4.5
|
22.1
|
0.1
|
|
H
|
S:CYS249
|
4.5
|
5.2
|
0.9
|
|
HB2
|
S:TYR218
|
4.5
|
15.2
|
0.6
|
|
HA
|
S:TYR218
|
4.6
|
11.6
|
0.6
|
|
CA
|
S:CYS222
|
4.6
|
9.5
|
1.0
|
|
CA
|
S:GLY224
|
4.6
|
10.4
|
1.0
|
|
ND1
|
S:HIS188
|
4.6
|
12.4
|
1.0
|
|
SG
|
S:CYS216
|
4.7
|
12.1
|
1.0
|
|
SG
|
S:CYS191
|
4.7
|
10.7
|
1.0
|
|
HA
|
S:HIS188
|
4.7
|
10.4
|
1.0
|
|
CD
|
S:PRO225
|
4.7
|
10.7
|
1.0
|
|
H
|
S:TYR218
|
4.8
|
9.3
|
0.9
|
|
HB3
|
S:CYS249
|
4.8
|
10.6
|
1.0
|
|
N
|
S:TYR218
|
4.8
|
10.5
|
0.6
|
|
HD1
|
S:TYR218
|
4.8
|
12.1
|
0.6
|
|
C
|
S:CYS222
|
4.8
|
9.6
|
1.0
|
|
N
|
S:LEU217
|
4.8
|
12.4
|
1.0
|
|
HB2
|
S:HIS188
|
4.8
|
14.3
|
1.0
|
|
HG23
|
S:VAL243
|
4.9
|
17.1
|
1.0
|
|
CB
|
S:LEU217
|
4.9
|
12.3
|
1.0
|
|
D
|
S:TYR218
|
4.9
|
14.0
|
0.1
|
|
HA
|
S:PRO248
|
4.9
|
7.0
|
1.0
|
|
HD1
|
S:TYR218
|
4.9
|
9.7
|
0.4
|
|
N
|
S:TYR218
|
5.0
|
11.7
|
0.4
|
|
HB2
|
S:TYR218
|
5.0
|
13.9
|
0.4
|
|
O
|
S:CYS222
|
5.0
|
10.5
|
1.0
|
|
Iron binding site 8 out
of 12 in 8w6x
Go back to
Iron Binding Sites List in 8w6x
Iron binding site 8 out
of 12 in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Fe1002
b:11.8
occ:1.00
|
FE3
|
S:SF41002
|
0.0
|
11.8
|
1.0
|
|
S1
|
S:SF41002
|
2.2
|
11.8
|
1.0
|
|
S2
|
S:SF41002
|
2.2
|
11.8
|
1.0
|
|
S4
|
S:SF41002
|
2.3
|
10.3
|
1.0
|
|
SG
|
S:CYS191
|
2.3
|
10.7
|
1.0
|
|
FE2
|
S:SF41002
|
2.7
|
10.2
|
1.0
|
|
FE1
|
S:SF41002
|
2.7
|
10.4
|
1.0
|
|
FE4
|
S:SF41002
|
2.7
|
11.6
|
1.0
|
|
HB2
|
S:ARG193
|
2.9
|
6.4
|
1.0
|
|
HB3
|
S:CYS191
|
3.1
|
13.0
|
1.0
|
|
CB
|
S:CYS191
|
3.1
|
12.3
|
1.0
|
|
HB2
|
S:CYS191
|
3.3
|
13.2
|
1.0
|
|
HG22
|
S:VAL243
|
3.7
|
10.1
|
1.0
|
|
HG11
|
S:VAL243
|
3.7
|
19.1
|
1.0
|
|
S3
|
S:SF41002
|
3.8
|
10.9
|
1.0
|
|
H
|
S:ARG193
|
3.8
|
7.7
|
0.9
|
|
D
|
S:ARG193
|
3.8
|
13.5
|
0.1
|
|
HG12
|
S:VAL243
|
3.9
|
8.7
|
1.0
|
|
HA
|
S:HIS188
|
4.0
|
10.4
|
1.0
|
|
CB
|
S:ARG193
|
4.0
|
12.2
|
1.0
|
|
HH2
|
S:TRP241
|
4.2
|
6.2
|
1.0
|
|
HD2
|
S:ARG193
|
4.2
|
16.5
|
1.0
|
|
CG1
|
S:VAL243
|
4.3
|
11.2
|
1.0
|
|
HG3
|
S:ARG193
|
4.3
|
5.5
|
1.0
|
|
ND1
|
S:HIS188
|
4.4
|
12.4
|
1.0
|
|
D
|
S:LEU217
|
4.5
|
25.7
|
0.0
|
|
H
|
S:LEU217
|
4.5
|
6.3
|
1.0
|
|
CA
|
S:CYS191
|
4.6
|
13.5
|
1.0
|
|
HB3
|
S:ARG193
|
4.6
|
20.3
|
1.0
|
|
N
|
S:ARG193
|
4.6
|
11.3
|
1.0
|
|
CG2
|
S:VAL243
|
4.6
|
13.6
|
1.0
|
|
CA
|
S:ARG193
|
4.6
|
12.4
|
1.0
|
|
CG
|
S:ARG193
|
4.6
|
12.3
|
1.0
|
|
C
|
S:ARG193
|
4.7
|
13.7
|
1.0
|
|
HG21
|
S:VAL243
|
4.7
|
20.6
|
1.0
|
|
N
|
S:LEU194
|
4.8
|
13.4
|
1.0
|
|
HA
|
S:CYS216
|
4.8
|
14.4
|
1.0
|
|
SG
|
S:CYS222
|
4.8
|
9.6
|
1.0
|
|
HA
|
S:LEU194
|
4.8
|
9.2
|
1.0
|
|
D
|
S:LEU194
|
4.8
|
11.6
|
0.4
|
|
H
|
S:LEU194
|
4.8
|
15.9
|
0.6
|
|
SG
|
S:CYS216
|
4.9
|
12.1
|
1.0
|
|
C
|
S:CYS191
|
5.0
|
12.8
|
1.0
|
|
CD
|
S:ARG193
|
5.0
|
15.7
|
1.0
|
|
CB
|
S:VAL243
|
5.0
|
10.7
|
1.0
|
|
HA
|
S:CYS191
|
5.0
|
23.7
|
1.0
|
|
Iron binding site 9 out
of 12 in 8w6x
Go back to
Iron Binding Sites List in 8w6x
Iron binding site 9 out
of 12 in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Fe1002
b:11.6
occ:1.00
|
FE4
|
S:SF41002
|
0.0
|
11.6
|
1.0
|
|
S2
|
S:SF41002
|
2.2
|
11.8
|
1.0
|
|
S3
|
S:SF41002
|
2.3
|
10.9
|
1.0
|
|
S1
|
S:SF41002
|
2.3
|
11.8
|
1.0
|
|
SG
|
S:CYS216
|
2.3
|
12.1
|
1.0
|
|
FE1
|
S:SF41002
|
2.7
|
10.4
|
1.0
|
|
FE3
|
S:SF41002
|
2.7
|
11.8
|
1.0
|
|
FE2
|
S:SF41002
|
2.7
|
10.2
|
1.0
|
|
D
|
S:LEU217
|
3.0
|
25.7
|
0.0
|
|
H
|
S:LEU217
|
3.0
|
6.3
|
1.0
|
|
HB2
|
S:PHE197
|
3.1
|
12.4
|
0.4
|
|
HB2
|
S:CYS216
|
3.4
|
23.0
|
1.0
|
|
CB
|
S:CYS216
|
3.4
|
14.6
|
1.0
|
|
HB2
|
S:PHE197
|
3.4
|
16.7
|
0.6
|
|
HA
|
S:CYS216
|
3.5
|
14.4
|
1.0
|
|
HB2
|
S:TYR218
|
3.6
|
15.2
|
0.6
|
|
HD2
|
S:PHE197
|
3.6
|
11.7
|
0.4
|
|
HB2
|
S:ARG193
|
3.6
|
6.4
|
1.0
|
|
H
|
S:TYR218
|
3.6
|
9.3
|
0.9
|
|
HD2
|
S:PHE197
|
3.7
|
11.0
|
0.6
|
|
D
|
S:TYR218
|
3.7
|
14.0
|
0.1
|
|
HB2
|
S:TYR218
|
3.8
|
13.9
|
0.4
|
|
N
|
S:LEU217
|
3.8
|
12.4
|
1.0
|
|
S4
|
S:SF41002
|
3.8
|
10.3
|
1.0
|
|
CA
|
S:CYS216
|
3.9
|
13.1
|
1.0
|
|
HE1
|
S:HIS188
|
4.2
|
14.6
|
1.0
|
|
CB
|
S:PHE197
|
4.2
|
13.5
|
0.4
|
|
N
|
S:TYR218
|
4.2
|
10.5
|
0.6
|
|
C
|
S:CYS216
|
4.3
|
12.6
|
1.0
|
|
N
|
S:TYR218
|
4.3
|
11.7
|
0.4
|
|
HB3
|
S:CYS216
|
4.3
|
11.9
|
1.0
|
|
HB3
|
S:CYS222
|
4.3
|
13.1
|
1.0
|
|
CD2
|
S:PHE197
|
4.3
|
12.1
|
0.4
|
|
ND1
|
S:HIS188
|
4.4
|
12.4
|
1.0
|
|
HB3
|
S:ARG193
|
4.4
|
20.3
|
1.0
|
|
CB
|
S:PHE197
|
4.5
|
14.8
|
0.6
|
|
CB
|
S:ARG193
|
4.5
|
12.2
|
1.0
|
|
CD2
|
S:PHE197
|
4.5
|
13.5
|
0.6
|
|
CB
|
S:TYR218
|
4.6
|
10.7
|
0.6
|
|
HB2
|
S:LEU217
|
4.6
|
16.6
|
1.0
|
|
H
|
S:PHE197
|
4.6
|
17.4
|
0.2
|
|
HB3
|
S:PHE197
|
4.6
|
17.6
|
0.4
|
|
CE1
|
S:HIS188
|
4.7
|
13.6
|
1.0
|
|
CG
|
S:PHE197
|
4.7
|
12.4
|
0.4
|
|
HD2
|
S:ARG193
|
4.7
|
16.5
|
1.0
|
|
HA
|
S:LEU194
|
4.7
|
9.2
|
1.0
|
|
O
|
S:ARG193
|
4.8
|
14.2
|
1.0
|
|
CB
|
S:TYR218
|
4.8
|
10.7
|
0.4
|
|
CA
|
S:LEU217
|
4.8
|
11.4
|
1.0
|
|
CA
|
S:TYR218
|
4.8
|
10.4
|
0.6
|
|
SG
|
S:CYS222
|
4.8
|
9.6
|
1.0
|
|
HA
|
S:TYR218
|
4.8
|
11.6
|
0.6
|
|
SG
|
S:CYS191
|
4.9
|
10.7
|
1.0
|
|
C
|
S:LEU217
|
4.9
|
11.1
|
1.0
|
|
HB3
|
S:TYR218
|
4.9
|
10.7
|
0.6
|
|
HB3
|
S:PHE197
|
4.9
|
16.6
|
0.6
|
|
HD1
|
S:TYR218
|
4.9
|
9.7
|
0.4
|
|
CG
|
S:PHE197
|
4.9
|
13.7
|
0.6
|
|
CB
|
S:CYS222
|
5.0
|
10.3
|
1.0
|
|
HE1
|
S:PHE202
|
5.0
|
14.0
|
1.0
|
|
C
|
S:ARG193
|
5.0
|
13.7
|
1.0
|
|
Iron binding site 10 out
of 12 in 8w6x
Go back to
Iron Binding Sites List in 8w6x
Iron binding site 10 out
of 12 in the Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Neutron Structure of [Nife]-Hydrogenase From D. Vulgaris Miyazaki F in Its Oxidized State within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Fe1003
b:8.5
occ:1.00
|
FE1
|
S:F3S1003
|
0.0
|
8.5
|
1.0
|
|
S1
|
S:F3S1003
|
2.2
|
9.3
|
1.0
|
|
S2
|
S:F3S1003
|
2.3
|
8.7
|
1.0
|
|
S3
|
S:F3S1003
|
2.3
|
8.6
|
1.0
|
|
SG
|
S:CYS249
|
2.3
|
9.0
|
1.0
|
|
FE4
|
S:F3S1003
|
2.7
|
8.1
|
1.0
|
|
FE3
|
S:F3S1003
|
2.7
|
8.3
|
1.0
|
|
HA
|
S:CYS249
|
3.1
|
13.9
|
1.0
|
|
HB2
|
S:CYS249
|
3.2
|
16.6
|
1.0
|
|
H
|
S:GLY251
|
3.2
|
4.6
|
0.7
|
|
D
|
S:GLY251
|
3.2
|
20.2
|
0.3
|
|
CB
|
S:CYS249
|
3.2
|
9.9
|
1.0
|
|
D
|
S:ILE250
|
3.5
|
19.3
|
0.1
|
|
H
|
S:ILE250
|
3.5
|
5.9
|
0.9
|
|
HG21
|
S:THR227
|
3.5
|
10.2
|
1.0
|
|
D
|
S:CYS252
|
3.5
|
23.3
|
0.1
|
|
H
|
S:CYS252
|
3.5
|
5.6
|
0.9
|
|
CA
|
S:CYS249
|
3.7
|
9.3
|
1.0
|
|
S4
|
S:F3S1003
|
3.9
|
8.4
|
1.0
|
|
DE22
|
L:GLN237
|
3.9
|
6.6
|
0.7
|
|
HE22
|
L:GLN237
|
3.9
|
11.4
|
0.3
|
|
HG23
|
S:VAL187
|
4.0
|
14.1
|
1.0
|
|
HG2
|
S:PRO242
|
4.0
|
8.9
|
1.0
|
|
N
|
S:ILE250
|
4.1
|
9.5
|
1.0
|
|
N
|
S:GLY251
|
4.2
|
9.5
|
1.0
|
|
HB3
|
S:CYS249
|
4.2
|
10.6
|
1.0
|
|
C
|
S:CYS249
|
4.3
|
9.0
|
1.0
|
|
HG22
|
S:VAL187
|
4.4
|
17.0
|
1.0
|
|
N
|
S:CYS252
|
4.5
|
9.4
|
1.0
|
|
HA2
|
S:GLY251
|
4.6
|
6.5
|
1.0
|
|
HG11
|
S:VAL187
|
4.6
|
7.2
|
1.0
|
|
CG2
|
S:THR227
|
4.6
|
11.4
|
1.0
|
|
CG2
|
S:VAL187
|
4.7
|
10.9
|
1.0
|
|
HB2
|
S:PRO242
|
4.7
|
10.0
|
1.0
|
|
HZ3
|
S:TRP241
|
4.7
|
16.1
|
1.0
|
|
HG13
|
S:VAL187
|
4.8
|
10.4
|
1.0
|
|
HD21
|
S:ASN229
|
4.8
|
15.5
|
0.1
|
|
DD21
|
S:ASN229
|
4.8
|
3.4
|
0.9
|
|
SG
|
S:CYS231
|
4.8
|
9.3
|
1.0
|
|
SG
|
S:CYS252
|
4.8
|
8.8
|
1.0
|
|
CA
|
S:GLY251
|
4.8
|
8.7
|
1.0
|
|
NE2
|
L:GLN237
|
4.9
|
9.6
|
1.0
|
|
D1
|
L:HOH931
|
4.9
|
8.5
|
1.0
|
|
HG12
|
S:ILE250
|
4.9
|
9.4
|
1.0
|
|
HD2
|
S:PRO242
|
5.0
|
9.3
|
1.0
|
|
N
|
S:CYS249
|
5.0
|
9.7
|
1.0
|
|
HE3
|
S:TRP241
|
5.0
|
16.0
|
1.0
|
|
HB3
|
S:CYS252
|
5.0
|
17.4
|
1.0
|
|
Reference:
T.Hiromoto,
K.Nishikawa,
S.Inoue,
H.Ogata,
Y.Hori,
K.Kusaka,
Y.Hirano,
K.Kurihara,
Y.Shigeta,
T.Tamada,
Y.Higuchi.
New Insights Into the Oxidation Process From Neutron and X-Ray Crystal Structures of An O2-Sensitive [Nife]-Hydrogenase. Chemical Science 2023.
DOI: 10.1039/D3SC02156D
Page generated: Fri Aug 8 00:21:14 2025
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