Iron in PDB 6n59: 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
Enzymatic activity of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
All present enzymatic activity of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase:
1.12.7.2;
Protein crystallography data
The structure of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase, PDB code: 6n59
was solved by
O.A.Zadvornyy,
S.M.Keable,
J.H.Artz,
J.W.Peters,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
39.26 /
1.02
|
|
Space group
|
P 42 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
111.035,
111.035,
103.765,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
11.3 /
13.2
|
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Binding sites:
The binding sites of Iron atom in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
(pdb code 6n59). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the
1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase, PDB code: 6n59:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 20 in 6n59
Go back to
Iron Binding Sites List in 6n59
Iron binding site 1 out
of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:14.6
occ:0.63
|
FE1
|
A:402601
|
0.0
|
14.6
|
0.6
|
|
C3
|
A:402601
|
1.7
|
16.1
|
0.7
|
|
C4
|
A:402601
|
1.8
|
14.4
|
0.6
|
|
C5
|
A:402601
|
1.9
|
15.4
|
0.7
|
|
S2
|
A:402601
|
2.3
|
15.2
|
0.6
|
|
S1
|
A:402601
|
2.3
|
15.3
|
0.6
|
|
SG
|
A:CYS503
|
2.4
|
14.7
|
0.7
|
|
FE2
|
A:402601
|
2.6
|
15.6
|
0.6
|
|
O3
|
A:402601
|
2.9
|
16.9
|
0.7
|
|
O5
|
A:402601
|
3.0
|
16.7
|
0.6
|
|
N4
|
A:402601
|
3.0
|
15.4
|
0.8
|
|
HB3
|
A:CYS503
|
3.3
|
17.8
|
1.0
|
|
CB
|
A:CYS503
|
3.4
|
14.8
|
0.7
|
|
C1
|
A:402601
|
3.4
|
16.0
|
0.6
|
|
HB2
|
A:CYS503
|
3.5
|
17.8
|
1.0
|
|
C2
|
A:402601
|
3.5
|
16.5
|
0.7
|
|
H11
|
A:402601
|
3.5
|
19.2
|
1.0
|
|
H8
|
A:402601
|
3.5
|
30.0
|
1.0
|
|
C7
|
A:402601
|
3.8
|
15.3
|
0.6
|
|
C6
|
A:402601
|
3.8
|
15.7
|
0.7
|
|
N1
|
A:402601
|
3.9
|
16.8
|
0.6
|
|
HE3
|
A:LYS358
|
4.0
|
17.2
|
1.0
|
|
HD2
|
A:PRO231
|
4.0
|
18.0
|
1.0
|
|
HB1
|
A:ALA230
|
4.1
|
16.7
|
1.0
|
|
FE3
|
A:SF4602
|
4.1
|
14.4
|
0.7
|
|
HA2
|
A:GLY418
|
4.2
|
18.8
|
1.0
|
|
S4
|
A:SF4602
|
4.3
|
14.7
|
0.7
|
|
HG2
|
A:PRO354
|
4.3
|
17.7
|
1.0
|
|
H12
|
A:402601
|
4.4
|
19.2
|
1.0
|
|
HG3
|
A:PRO354
|
4.4
|
17.7
|
1.0
|
|
H7
|
A:402601
|
4.4
|
19.8
|
1.0
|
|
HE3
|
A:MET353
|
4.4
|
18.0
|
0.5
|
|
HG2
|
A:PRO231
|
4.4
|
19.2
|
1.0
|
|
HD2
|
A:PRO354
|
4.5
|
17.8
|
1.0
|
|
HE2
|
A:MET353
|
4.7
|
18.0
|
0.5
|
|
CG
|
A:PRO354
|
4.7
|
14.7
|
0.7
|
|
O
|
A:HOH715
|
4.7
|
17.7
|
0.1
|
|
N6
|
A:402601
|
4.8
|
16.7
|
0.8
|
|
CA
|
A:CYS503
|
4.8
|
14.4
|
0.7
|
|
O7
|
A:402601
|
4.8
|
15.5
|
0.6
|
|
CE
|
A:LYS358
|
4.8
|
14.3
|
0.6
|
|
HE2
|
A:LYS358
|
4.8
|
17.2
|
1.0
|
|
H9
|
A:402601
|
4.9
|
20.2
|
1.0
|
|
HB3
|
A:PHE417
|
4.9
|
18.7
|
1.0
|
|
HG
|
A:SER232
|
4.9
|
19.5
|
1.0
|
|
CD
|
A:PRO231
|
4.9
|
15.0
|
0.6
|
|
Iron binding site 2 out
of 20 in 6n59
Go back to
Iron Binding Sites List in 6n59
Iron binding site 2 out
of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:15.6
occ:0.61
|
FE2
|
A:402601
|
0.0
|
15.6
|
0.6
|
|
C7
|
A:402601
|
1.8
|
15.3
|
0.6
|
|
C6
|
A:402601
|
1.9
|
15.7
|
0.7
|
|
C5
|
A:402601
|
2.0
|
15.4
|
0.7
|
|
S2
|
A:402601
|
2.3
|
15.2
|
0.6
|
|
S1
|
A:402601
|
2.3
|
15.3
|
0.6
|
|
FE1
|
A:402601
|
2.6
|
14.6
|
0.6
|
|
O
|
A:HOH715
|
2.7
|
17.7
|
0.1
|
|
O5
|
A:402601
|
2.9
|
16.7
|
0.6
|
|
N6
|
A:402601
|
3.0
|
16.7
|
0.8
|
|
O7
|
A:402601
|
3.0
|
15.5
|
0.6
|
|
HG2
|
A:PRO324
|
3.3
|
19.9
|
1.0
|
|
N1
|
A:402601
|
3.4
|
16.8
|
0.6
|
|
C1
|
A:402601
|
3.4
|
16.0
|
0.6
|
|
C2
|
A:402601
|
3.4
|
16.5
|
0.7
|
|
HD2
|
A:PHE417
|
3.5
|
18.2
|
1.0
|
|
HD2
|
A:PRO324
|
3.6
|
18.8
|
1.0
|
|
HB2
|
A:PRO324
|
3.6
|
19.2
|
1.0
|
|
C3
|
A:402601
|
3.7
|
16.1
|
0.7
|
|
C4
|
A:402601
|
3.7
|
14.4
|
0.6
|
|
HE3
|
A:LYS358
|
4.0
|
17.2
|
1.0
|
|
HD2
|
A:PRO231
|
4.0
|
18.0
|
1.0
|
|
H12
|
A:402601
|
4.0
|
19.2
|
1.0
|
|
CG
|
A:PRO324
|
4.1
|
16.6
|
0.7
|
|
HB3
|
A:PHE417
|
4.1
|
18.7
|
1.0
|
|
H7
|
A:402601
|
4.1
|
19.8
|
1.0
|
|
HE3
|
A:MET353
|
4.1
|
18.0
|
0.5
|
|
H11
|
A:402601
|
4.2
|
19.2
|
1.0
|
|
H8
|
A:402601
|
4.2
|
30.0
|
1.0
|
|
HZ2
|
A:LYS358
|
4.2
|
16.1
|
1.0
|
|
HG2
|
A:PRO231
|
4.2
|
19.2
|
1.0
|
|
CD
|
A:PRO324
|
4.3
|
15.6
|
0.7
|
|
CB
|
A:PRO324
|
4.3
|
16.0
|
0.7
|
|
HB2
|
A:CYS299
|
4.3
|
20.2
|
1.0
|
|
CD2
|
A:PHE417
|
4.4
|
15.2
|
0.6
|
|
H9
|
A:402601
|
4.4
|
20.2
|
1.0
|
|
HZ3
|
A:LYS358
|
4.6
|
16.1
|
1.0
|
|
SG
|
A:CYS503
|
4.6
|
14.7
|
0.7
|
|
O3
|
A:402601
|
4.6
|
16.9
|
0.7
|
|
NZ
|
A:LYS358
|
4.7
|
13.4
|
0.6
|
|
HG22
|
A:ILE268
|
4.7
|
19.4
|
1.0
|
|
N4
|
A:402601
|
4.7
|
15.4
|
0.8
|
|
HG21
|
A:ILE268
|
4.7
|
19.4
|
1.0
|
|
CE
|
A:LYS358
|
4.7
|
14.3
|
0.6
|
|
CD
|
A:PRO231
|
4.7
|
15.0
|
0.6
|
|
HB1
|
A:ALA230
|
4.8
|
16.7
|
1.0
|
|
HB3
|
A:PRO324
|
4.8
|
19.2
|
1.0
|
|
HD3
|
A:PRO231
|
4.9
|
18.0
|
1.0
|
|
H
|
A:GLN325
|
4.9
|
16.7
|
1.0
|
|
HD3
|
A:PRO324
|
4.9
|
18.8
|
1.0
|
|
HG3
|
A:PRO324
|
4.9
|
19.9
|
1.0
|
|
CG
|
A:PRO231
|
4.9
|
16.0
|
0.6
|
|
CB
|
A:PHE417
|
4.9
|
15.5
|
0.6
|
|
CE
|
A:MET353
|
5.0
|
15.0
|
0.3
|
|
O
|
A:CYS299
|
5.0
|
16.8
|
0.7
|
|
HE2
|
A:PHE417
|
5.0
|
18.4
|
1.0
|
|
Iron binding site 3 out
of 20 in 6n59
Go back to
Iron Binding Sites List in 6n59
Iron binding site 3 out
of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe602
b:14.2
occ:0.68
|
FE1
|
A:SF4602
|
0.0
|
14.2
|
0.7
|
|
SG
|
A:CYS355
|
2.3
|
14.5
|
0.7
|
|
S4
|
A:SF4602
|
2.3
|
14.7
|
0.7
|
|
S3
|
A:SF4602
|
2.3
|
15.0
|
0.7
|
|
S2
|
A:SF4602
|
2.3
|
14.7
|
0.7
|
|
FE2
|
A:SF4602
|
2.7
|
14.6
|
0.7
|
|
FE3
|
A:SF4602
|
2.7
|
14.4
|
0.7
|
|
FE4
|
A:SF4602
|
2.7
|
14.7
|
0.7
|
|
HG
|
A:SER357
|
2.9
|
38.9
|
0.2
|
|
HB2
|
A:CYS355
|
3.0
|
18.7
|
1.0
|
|
CB
|
A:CYS355
|
3.3
|
15.6
|
0.8
|
|
OG
|
A:SER357
|
3.4
|
32.4
|
0.4
|
|
HD2
|
A:PRO301
|
3.7
|
19.4
|
1.0
|
|
HB3
|
A:SER357
|
3.8
|
17.8
|
0.8
|
|
O
|
A:HOH727
|
3.8
|
18.7
|
0.8
|
|
S1
|
A:SF4602
|
3.9
|
14.8
|
0.7
|
|
HB3
|
A:CYS355
|
3.9
|
18.7
|
1.0
|
|
HG2
|
A:LYS358
|
4.0
|
17.6
|
1.0
|
|
O3
|
A:402601
|
4.0
|
16.9
|
0.7
|
|
HA
|
A:CYS355
|
4.2
|
18.9
|
1.0
|
|
HE2
|
A:LYS358
|
4.2
|
17.2
|
1.0
|
|
CA
|
A:CYS355
|
4.3
|
15.8
|
0.8
|
|
H
|
A:SER357
|
4.4
|
23.9
|
0.8
|
|
H
|
A:SER357
|
4.4
|
16.1
|
0.2
|
|
H
|
A:GLY302
|
4.5
|
18.3
|
1.0
|
|
C3
|
A:402601
|
4.6
|
16.1
|
0.7
|
|
CD
|
A:PRO301
|
4.6
|
16.2
|
0.8
|
|
H
|
A:LYS358
|
4.7
|
18.2
|
1.0
|
|
CB
|
A:SER357
|
4.7
|
29.9
|
0.3
|
|
SG
|
A:CYS300
|
4.7
|
15.2
|
0.8
|
|
SG
|
A:CYS503
|
4.7
|
14.7
|
0.7
|
|
CB
|
A:SER357
|
4.7
|
14.8
|
0.7
|
|
SG
|
A:CYS499
|
4.7
|
14.6
|
0.7
|
|
HA
|
A:CYS300
|
4.8
|
18.1
|
1.0
|
|
HG2
|
A:PRO301
|
4.8
|
20.1
|
1.0
|
|
CG
|
A:LYS358
|
4.9
|
14.7
|
0.8
|
|
HA3
|
A:GLY506
|
4.9
|
17.8
|
1.0
|
|
HA
|
A:CYS503
|
4.9
|
17.2
|
1.0
|
|
HB3
|
A:SER357
|
4.9
|
35.9
|
0.2
|
|
HA
|
A:CYS193
|
4.9
|
18.0
|
1.0
|
|
HG3
|
A:LYS358
|
5.0
|
17.6
|
1.0
|
|
Iron binding site 4 out
of 20 in 6n59
Go back to
Iron Binding Sites List in 6n59
Iron binding site 4 out
of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe602
b:14.6
occ:0.72
|
FE2
|
A:SF4602
|
0.0
|
14.6
|
0.7
|
|
SG
|
A:CYS300
|
2.3
|
15.2
|
0.8
|
|
S1
|
A:SF4602
|
2.3
|
14.8
|
0.7
|
|
S4
|
A:SF4602
|
2.3
|
14.7
|
0.7
|
|
S3
|
A:SF4602
|
2.3
|
15.0
|
0.7
|
|
FE1
|
A:SF4602
|
2.7
|
14.2
|
0.7
|
|
FE3
|
A:SF4602
|
2.7
|
14.4
|
0.7
|
|
FE4
|
A:SF4602
|
2.8
|
14.7
|
0.7
|
|
H
|
A:ALA498
|
3.3
|
18.4
|
1.0
|
|
HB2
|
A:CYS300
|
3.3
|
18.9
|
1.0
|
|
CB
|
A:CYS300
|
3.3
|
15.7
|
0.8
|
|
HA
|
A:CYS300
|
3.4
|
18.1
|
1.0
|
|
HB3
|
A:ALA498
|
3.5
|
18.5
|
1.0
|
|
H
|
A:GLY302
|
3.6
|
18.3
|
1.0
|
|
HD2
|
A:PRO301
|
3.6
|
19.4
|
1.0
|
|
CA
|
A:CYS300
|
3.9
|
15.1
|
0.8
|
|
S2
|
A:SF4602
|
3.9
|
14.7
|
0.7
|
|
H8
|
A:402601
|
4.0
|
30.0
|
1.0
|
|
H
|
A:CYS499
|
4.1
|
18.6
|
1.0
|
|
N
|
A:ALA498
|
4.1
|
15.3
|
0.7
|
|
HB3
|
A:CYS300
|
4.2
|
18.9
|
1.0
|
|
CB
|
A:ALA498
|
4.3
|
15.4
|
0.7
|
|
HA3
|
A:GLY302
|
4.3
|
18.7
|
1.0
|
|
HA
|
A:MET497
|
4.3
|
18.8
|
1.0
|
|
HB2
|
A:ALA498
|
4.4
|
18.5
|
1.0
|
|
C
|
A:CYS300
|
4.4
|
14.2
|
0.7
|
|
N
|
A:GLY302
|
4.4
|
15.3
|
0.7
|
|
CD
|
A:PRO301
|
4.4
|
16.2
|
0.8
|
|
H
|
A:TRP303
|
4.4
|
17.8
|
1.0
|
|
N
|
A:PRO301
|
4.4
|
15.5
|
0.8
|
|
HG
|
A:SER357
|
4.6
|
38.9
|
0.2
|
|
HB3
|
A:MET497
|
4.6
|
19.5
|
1.0
|
|
OG
|
A:SER357
|
4.6
|
32.4
|
0.4
|
|
CA
|
A:ALA498
|
4.7
|
14.8
|
0.7
|
|
H7
|
A:402601
|
4.7
|
19.8
|
1.0
|
|
SG
|
A:CYS503
|
4.7
|
14.7
|
0.7
|
|
SG
|
A:CYS499
|
4.7
|
14.6
|
0.7
|
|
N
|
A:CYS499
|
4.8
|
15.5
|
0.8
|
|
C2
|
A:402601
|
4.8
|
16.5
|
0.7
|
|
SD
|
A:MET497
|
4.8
|
16.0
|
0.6
|
|
SG
|
A:CYS355
|
4.8
|
14.5
|
0.7
|
|
HD3
|
A:PRO301
|
4.8
|
19.4
|
1.0
|
|
CA
|
A:GLY302
|
4.9
|
15.6
|
0.7
|
|
HB2
|
A:CYS499
|
5.0
|
18.5
|
1.0
|
|
Iron binding site 5 out
of 20 in 6n59
Go back to
Iron Binding Sites List in 6n59
Iron binding site 5 out
of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe602
b:14.4
occ:0.70
|
FE3
|
A:SF4602
|
0.0
|
14.4
|
0.7
|
|
S4
|
A:SF4602
|
2.3
|
14.7
|
0.7
|
|
S1
|
A:SF4602
|
2.3
|
14.8
|
0.7
|
|
S2
|
A:SF4602
|
2.3
|
14.7
|
0.7
|
|
SG
|
A:CYS503
|
2.3
|
14.7
|
0.7
|
|
FE2
|
A:SF4602
|
2.7
|
14.6
|
0.7
|
|
FE1
|
A:SF4602
|
2.7
|
14.2
|
0.7
|
|
FE4
|
A:SF4602
|
2.7
|
14.7
|
0.7
|
|
HA
|
A:CYS503
|
2.9
|
17.2
|
1.0
|
|
CB
|
A:CYS503
|
3.3
|
14.8
|
0.7
|
|
H8
|
A:402601
|
3.4
|
30.0
|
1.0
|
|
CA
|
A:CYS503
|
3.5
|
14.4
|
0.7
|
|
HB3
|
A:CYS503
|
3.5
|
17.8
|
1.0
|
|
C3
|
A:402601
|
3.9
|
16.1
|
0.7
|
|
S3
|
A:SF4602
|
3.9
|
15.0
|
0.7
|
|
N
|
A:CYS503
|
3.9
|
15.2
|
0.7
|
|
O3
|
A:402601
|
4.0
|
16.9
|
0.7
|
|
H
|
A:CYS503
|
4.0
|
18.2
|
1.0
|
|
FE1
|
A:402601
|
4.1
|
14.6
|
0.6
|
|
HB2
|
A:CYS503
|
4.2
|
17.8
|
1.0
|
|
HB2
|
A:CYS355
|
4.2
|
18.7
|
1.0
|
|
C2
|
A:402601
|
4.2
|
16.5
|
0.7
|
|
S2
|
A:402601
|
4.3
|
15.2
|
0.6
|
|
HB2
|
A:CYS499
|
4.4
|
18.5
|
1.0
|
|
HG2
|
A:PRO354
|
4.6
|
17.7
|
1.0
|
|
H11
|
A:402601
|
4.6
|
19.2
|
1.0
|
|
C
|
A:GLY502
|
4.6
|
15.0
|
0.7
|
|
HB2
|
A:CYS300
|
4.7
|
18.9
|
1.0
|
|
SD
|
A:MET497
|
4.7
|
16.0
|
0.6
|
|
SG
|
A:CYS355
|
4.7
|
14.5
|
0.7
|
|
H7
|
A:402601
|
4.8
|
19.8
|
1.0
|
|
SG
|
A:CYS300
|
4.8
|
15.2
|
0.8
|
|
C
|
A:CYS503
|
4.8
|
14.5
|
0.7
|
|
HA3
|
A:GLY506
|
4.8
|
17.8
|
1.0
|
|
HA
|
A:CYS300
|
4.8
|
18.1
|
1.0
|
|
H
|
A:CYS499
|
4.8
|
18.6
|
1.0
|
|
SG
|
A:CYS499
|
4.9
|
14.6
|
0.7
|
|
HB3
|
A:MET497
|
4.9
|
19.5
|
1.0
|
|
HD2
|
A:PRO301
|
4.9
|
19.4
|
1.0
|
|
CB
|
A:CYS355
|
4.9
|
15.6
|
0.8
|
|
Iron binding site 6 out
of 20 in 6n59
Go back to
Iron Binding Sites List in 6n59
Iron binding site 6 out
of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe602
b:14.7
occ:0.72
|
FE4
|
A:SF4602
|
0.0
|
14.7
|
0.7
|
|
SG
|
A:CYS499
|
2.3
|
14.6
|
0.7
|
|
S1
|
A:SF4602
|
2.3
|
14.8
|
0.7
|
|
S3
|
A:SF4602
|
2.3
|
15.0
|
0.7
|
|
S2
|
A:SF4602
|
2.3
|
14.7
|
0.7
|
|
FE1
|
A:SF4602
|
2.7
|
14.2
|
0.7
|
|
FE3
|
A:SF4602
|
2.7
|
14.4
|
0.7
|
|
FE2
|
A:SF4602
|
2.8
|
14.6
|
0.7
|
|
HB2
|
A:CYS499
|
2.9
|
18.5
|
1.0
|
|
CB
|
A:CYS499
|
3.2
|
15.4
|
0.7
|
|
H
|
A:CYS499
|
3.3
|
18.6
|
1.0
|
|
HA2
|
A:GLY506
|
3.5
|
17.8
|
1.0
|
|
HA
|
A:CYS503
|
3.8
|
17.2
|
1.0
|
|
HB3
|
A:ALA498
|
3.8
|
18.5
|
1.0
|
|
N
|
A:CYS499
|
3.8
|
15.5
|
0.8
|
|
HB3
|
A:CYS499
|
3.9
|
18.5
|
1.0
|
|
S4
|
A:SF4602
|
3.9
|
14.7
|
0.7
|
|
HA3
|
A:GLY506
|
4.0
|
17.8
|
1.0
|
|
CA
|
A:CYS499
|
4.1
|
15.2
|
0.7
|
|
O
|
A:HOH727
|
4.1
|
18.7
|
0.8
|
|
CA
|
A:GLY506
|
4.2
|
14.8
|
0.7
|
|
HB2
|
A:CYS193
|
4.3
|
19.2
|
1.0
|
|
H
|
A:GLY507
|
4.4
|
17.8
|
1.0
|
|
H
|
A:ALA498
|
4.4
|
18.4
|
1.0
|
|
SG
|
A:CYS355
|
4.6
|
14.5
|
0.7
|
|
HA
|
A:CYS499
|
4.6
|
18.2
|
1.0
|
|
CB
|
A:ALA498
|
4.7
|
15.4
|
0.7
|
|
CA
|
A:CYS503
|
4.7
|
14.4
|
0.7
|
|
C
|
A:ALA498
|
4.7
|
15.0
|
0.7
|
|
HB2
|
A:CYS355
|
4.8
|
18.7
|
1.0
|
|
SG
|
A:CYS300
|
4.8
|
15.2
|
0.8
|
|
HE21
|
A:GLN195
|
4.8
|
20.2
|
1.0
|
|
HG
|
A:SER357
|
4.8
|
38.9
|
0.2
|
|
HA
|
A:CYS193
|
4.9
|
18.0
|
1.0
|
|
N
|
A:ALA498
|
4.9
|
15.3
|
0.7
|
|
SG
|
A:CYS503
|
4.9
|
14.7
|
0.7
|
|
O
|
A:GLY502
|
5.0
|
16.5
|
0.8
|
|
Iron binding site 7 out
of 20 in 6n59
Go back to
Iron Binding Sites List in 6n59
Iron binding site 7 out
of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe603
b:14.8
occ:0.71
|
FE1
|
A:SF4603
|
0.0
|
14.8
|
0.7
|
|
S4
|
A:SF4603
|
2.3
|
15.0
|
0.8
|
|
S3
|
A:SF4603
|
2.3
|
14.8
|
0.7
|
|
S2
|
A:SF4603
|
2.3
|
15.2
|
0.7
|
|
SG
|
A:CYS193
|
2.4
|
15.3
|
0.7
|
|
FE2
|
A:SF4603
|
2.7
|
14.6
|
0.7
|
|
FE3
|
A:SF4603
|
2.7
|
15.0
|
0.8
|
|
FE4
|
A:SF4603
|
2.7
|
14.6
|
0.7
|
|
H
|
A:CYS193
|
3.0
|
17.7
|
1.0
|
|
HG21
|
A:THR161
|
3.2
|
18.6
|
1.0
|
|
H
|
A:GLY194
|
3.3
|
17.0
|
1.0
|
|
H
|
A:GLN195
|
3.5
|
18.8
|
1.0
|
|
N
|
A:CYS193
|
3.7
|
14.8
|
0.7
|
|
CB
|
A:CYS193
|
3.8
|
16.0
|
0.7
|
|
HB2
|
A:LEU191
|
3.8
|
18.2
|
1.0
|
|
N
|
A:GLY194
|
3.9
|
14.1
|
0.7
|
|
S1
|
A:SF4603
|
3.9
|
14.8
|
0.7
|
|
HB3
|
A:CYS193
|
4.0
|
19.2
|
1.0
|
|
H
|
A:LEU191
|
4.0
|
18.5
|
1.0
|
|
H
|
A:LEU192
|
4.0
|
17.6
|
1.0
|
|
HB2
|
A:GLN195
|
4.1
|
19.7
|
1.0
|
|
CA
|
A:CYS193
|
4.1
|
15.0
|
0.7
|
|
CG2
|
A:THR161
|
4.1
|
15.5
|
0.6
|
|
H
|
A:CYS196
|
4.2
|
18.1
|
1.0
|
|
N
|
A:GLN195
|
4.2
|
15.7
|
0.8
|
|
HG23
|
A:THR161
|
4.2
|
18.6
|
1.0
|
|
C
|
A:CYS193
|
4.3
|
14.4
|
0.7
|
|
N
|
A:LEU192
|
4.4
|
14.7
|
0.7
|
|
HG22
|
A:THR161
|
4.4
|
18.6
|
1.0
|
|
HB2
|
A:CYS193
|
4.5
|
19.2
|
1.0
|
|
SG
|
A:CYS190
|
4.6
|
15.1
|
0.7
|
|
SG
|
A:CYS196
|
4.7
|
15.2
|
0.7
|
|
C
|
A:LEU192
|
4.7
|
15.5
|
0.8
|
|
CB
|
A:LEU191
|
4.7
|
15.2
|
0.7
|
|
N
|
A:LEU191
|
4.7
|
15.4
|
0.8
|
|
HA
|
A:LEU192
|
4.7
|
18.0
|
1.0
|
|
CA
|
A:GLY194
|
4.8
|
15.1
|
0.7
|
|
HG
|
A:LEU191
|
4.8
|
18.7
|
1.0
|
|
HA2
|
A:GLY194
|
4.8
|
18.1
|
1.0
|
|
SG
|
A:CYS157
|
4.8
|
15.1
|
0.7
|
|
HA
|
A:CYS157
|
4.9
|
18.9
|
1.0
|
|
HD12
|
A:LEU191
|
4.9
|
18.0
|
1.0
|
|
CB
|
A:GLN195
|
4.9
|
16.4
|
0.7
|
|
CA
|
A:LEU192
|
4.9
|
15.0
|
0.8
|
|
HG2
|
A:GLN195
|
4.9
|
19.5
|
1.0
|
|
H2
|
A:HOH905
|
4.9
|
20.3
|
0.1
|
|
C
|
A:GLY194
|
4.9
|
15.4
|
0.8
|
|
N
|
A:CYS196
|
5.0
|
15.0
|
0.7
|
|
C
|
A:LEU191
|
5.0
|
15.0
|
0.7
|
|
Iron binding site 8 out
of 20 in 6n59
Go back to
Iron Binding Sites List in 6n59
Iron binding site 8 out
of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe603
b:14.6
occ:0.71
|
FE2
|
A:SF4603
|
0.0
|
14.6
|
0.7
|
|
S1
|
A:SF4603
|
2.3
|
14.8
|
0.7
|
|
S4
|
A:SF4603
|
2.3
|
15.0
|
0.8
|
|
S3
|
A:SF4603
|
2.3
|
14.8
|
0.7
|
|
SG
|
A:CYS196
|
2.3
|
15.2
|
0.7
|
|
FE1
|
A:SF4603
|
2.7
|
14.8
|
0.7
|
|
FE3
|
A:SF4603
|
2.7
|
15.0
|
0.8
|
|
FE4
|
A:SF4603
|
2.8
|
14.6
|
0.7
|
|
HB3
|
A:CYS196
|
3.0
|
18.5
|
1.0
|
|
H
|
A:CYS196
|
3.1
|
18.1
|
1.0
|
|
CB
|
A:CYS196
|
3.3
|
15.4
|
0.7
|
|
HE2
|
A:MET166
|
3.7
|
20.1
|
1.0
|
|
H
|
A:GLY194
|
3.8
|
17.0
|
1.0
|
|
HD11
|
A:LEU140
|
3.9
|
20.8
|
1.0
|
|
N
|
A:CYS196
|
3.9
|
15.0
|
0.7
|
|
S2
|
A:SF4603
|
3.9
|
15.2
|
0.7
|
|
HB2
|
A:CYS196
|
4.0
|
18.5
|
1.0
|
|
HB2
|
A:CYS157
|
4.1
|
18.8
|
1.0
|
|
HB2
|
A:MET166
|
4.1
|
18.2
|
1.0
|
|
HA2
|
A:GLY194
|
4.2
|
18.1
|
1.0
|
|
H
|
A:GLN195
|
4.2
|
18.8
|
1.0
|
|
CA
|
A:CYS196
|
4.2
|
15.6
|
0.7
|
|
HD13
|
A:LEU140
|
4.3
|
20.8
|
1.0
|
|
N
|
A:GLY194
|
4.4
|
14.1
|
0.7
|
|
N
|
A:GLN195
|
4.5
|
15.7
|
0.8
|
|
CD1
|
A:LEU140
|
4.5
|
17.3
|
0.4
|
|
CE
|
A:MET166
|
4.6
|
16.7
|
0.6
|
|
CA
|
A:GLY194
|
4.6
|
15.1
|
0.7
|
|
SG
|
A:CYS190
|
4.6
|
15.1
|
0.7
|
|
SG
|
A:CYS193
|
4.7
|
15.3
|
0.7
|
|
SG
|
A:CYS157
|
4.8
|
15.1
|
0.7
|
|
HE3
|
A:MET166
|
4.8
|
20.1
|
1.0
|
|
C
|
A:GLY194
|
4.8
|
15.4
|
0.8
|
|
HA
|
A:CYS196
|
4.8
|
18.8
|
1.0
|
|
HB2
|
A:GLN195
|
4.8
|
19.7
|
1.0
|
|
H
|
A:ILE197
|
4.9
|
17.2
|
1.0
|
|
CB
|
A:CYS157
|
4.9
|
15.6
|
0.7
|
|
H
|
A:CYS193
|
4.9
|
17.7
|
1.0
|
|
HE1
|
A:MET166
|
4.9
|
20.1
|
1.0
|
|
C
|
A:GLN195
|
5.0
|
15.4
|
0.7
|
|
Iron binding site 9 out
of 20 in 6n59
Go back to
Iron Binding Sites List in 6n59
Iron binding site 9 out
of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe603
b:15.0
occ:0.75
|
FE3
|
A:SF4603
|
0.0
|
15.0
|
0.8
|
|
SG
|
A:CYS190
|
2.3
|
15.1
|
0.7
|
|
S4
|
A:SF4603
|
2.3
|
15.0
|
0.8
|
|
S1
|
A:SF4603
|
2.3
|
14.8
|
0.7
|
|
S2
|
A:SF4603
|
2.3
|
15.2
|
0.7
|
|
FE2
|
A:SF4603
|
2.7
|
14.6
|
0.7
|
|
FE1
|
A:SF4603
|
2.7
|
14.8
|
0.7
|
|
FE4
|
A:SF4603
|
2.7
|
14.6
|
0.7
|
|
H
|
A:LEU192
|
3.2
|
17.6
|
1.0
|
|
H
|
A:LEU191
|
3.3
|
18.5
|
1.0
|
|
HB3
|
A:ALA165
|
3.4
|
18.1
|
1.0
|
|
HA
|
A:CYS190
|
3.4
|
18.7
|
1.0
|
|
CB
|
A:CYS190
|
3.4
|
16.3
|
0.8
|
|
HB2
|
A:CYS190
|
3.5
|
19.5
|
1.0
|
|
CA
|
A:CYS190
|
3.8
|
15.6
|
0.7
|
|
HD11
|
A:LEU140
|
3.8
|
20.8
|
1.0
|
|
N
|
A:LEU191
|
3.9
|
15.4
|
0.8
|
|
S3
|
A:SF4603
|
3.9
|
14.8
|
0.7
|
|
HD2
|
A:PHE185
|
3.9
|
20.0
|
1.0
|
|
N
|
A:LEU192
|
4.0
|
14.7
|
0.7
|
|
HB1
|
A:ALA165
|
4.1
|
18.1
|
1.0
|
|
HA
|
A:LEU192
|
4.1
|
18.0
|
1.0
|
|
CB
|
A:ALA165
|
4.1
|
15.1
|
0.6
|
|
H
|
A:CYS193
|
4.2
|
17.7
|
1.0
|
|
HB3
|
A:CYS190
|
4.3
|
19.5
|
1.0
|
|
C
|
A:CYS190
|
4.3
|
14.9
|
0.7
|
|
HD23
|
A:LEU192
|
4.6
|
20.1
|
1.0
|
|
CA
|
A:LEU192
|
4.6
|
15.0
|
0.8
|
|
HB2
|
A:ALA165
|
4.6
|
18.1
|
1.0
|
|
H
|
A:GLY194
|
4.6
|
17.0
|
1.0
|
|
CD1
|
A:LEU140
|
4.6
|
17.3
|
0.4
|
|
CD2
|
A:PHE185
|
4.7
|
16.6
|
0.7
|
|
HB2
|
A:LEU191
|
4.7
|
18.2
|
1.0
|
|
HD12
|
A:LEU140
|
4.7
|
20.8
|
1.0
|
|
SG
|
A:CYS157
|
4.8
|
15.1
|
0.7
|
|
N
|
A:CYS193
|
4.8
|
14.8
|
0.7
|
|
CA
|
A:LEU191
|
4.8
|
15.0
|
0.8
|
|
SG
|
A:CYS196
|
4.8
|
15.2
|
0.7
|
|
HE2
|
A:PHE185
|
4.8
|
21.3
|
1.0
|
|
HD13
|
A:LEU140
|
4.8
|
20.8
|
1.0
|
|
C
|
A:LEU191
|
4.9
|
15.0
|
0.7
|
|
HB3
|
A:PHE185
|
4.9
|
20.2
|
1.0
|
|
Iron binding site 10 out
of 20 in 6n59
Go back to
Iron Binding Sites List in 6n59
Iron binding site 10 out
of 20 in the 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of 1.0 Angstrom Crystal Structure of [Fefe]-Hydrogenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe603
b:14.6
occ:0.70
|
FE4
|
A:SF4603
|
0.0
|
14.6
|
0.7
|
|
SG
|
A:CYS157
|
2.3
|
15.1
|
0.7
|
|
S3
|
A:SF4603
|
2.3
|
14.8
|
0.7
|
|
S1
|
A:SF4603
|
2.3
|
14.8
|
0.7
|
|
S2
|
A:SF4603
|
2.3
|
15.2
|
0.7
|
|
FE1
|
A:SF4603
|
2.7
|
14.8
|
0.7
|
|
FE3
|
A:SF4603
|
2.7
|
15.0
|
0.8
|
|
FE2
|
A:SF4603
|
2.8
|
14.6
|
0.7
|
|
HB2
|
A:CYS157
|
3.0
|
18.8
|
1.0
|
|
CB
|
A:CYS157
|
3.2
|
15.6
|
0.7
|
|
HB3
|
A:ALA165
|
3.2
|
18.1
|
1.0
|
|
HA
|
A:CYS157
|
3.6
|
18.9
|
1.0
|
|
HG21
|
A:THR161
|
3.7
|
18.6
|
1.0
|
|
HG1
|
A:THR163
|
3.8
|
19.4
|
1.0
|
|
H
|
A:MET166
|
3.8
|
19.3
|
1.0
|
|
S4
|
A:SF4603
|
3.9
|
15.0
|
0.8
|
|
HG1
|
A:THR161
|
4.0
|
18.8
|
1.0
|
|
CA
|
A:CYS157
|
4.0
|
15.7
|
0.8
|
|
HB2
|
A:MET166
|
4.0
|
18.2
|
1.0
|
|
HB3
|
A:CYS157
|
4.0
|
18.8
|
1.0
|
|
H
|
A:ALA165
|
4.0
|
20.1
|
1.0
|
|
OG1
|
A:THR163
|
4.1
|
16.1
|
0.7
|
|
CB
|
A:ALA165
|
4.2
|
15.1
|
0.6
|
|
OG1
|
A:THR161
|
4.2
|
15.7
|
0.7
|
|
HG23
|
A:THR161
|
4.3
|
18.6
|
1.0
|
|
N
|
A:MET166
|
4.4
|
16.1
|
0.8
|
|
HB3
|
A:CYS196
|
4.4
|
18.5
|
1.0
|
|
CG2
|
A:THR161
|
4.4
|
15.5
|
0.6
|
|
HB2
|
A:ALA165
|
4.6
|
18.1
|
1.0
|
|
N
|
A:ALA165
|
4.6
|
16.8
|
0.8
|
|
HB3
|
A:MET166
|
4.6
|
18.2
|
1.0
|
|
HB1
|
A:ALA165
|
4.7
|
18.1
|
1.0
|
|
CB
|
A:MET166
|
4.7
|
15.2
|
0.6
|
|
HA
|
A:CYS190
|
4.7
|
18.7
|
1.0
|
|
H
|
A:LEU191
|
4.7
|
18.5
|
1.0
|
|
CA
|
A:ALA165
|
4.8
|
16.0
|
0.7
|
|
H
|
A:CYS196
|
4.8
|
18.1
|
1.0
|
|
C
|
A:CYS157
|
4.8
|
16.3
|
0.8
|
|
C
|
A:ALA165
|
4.8
|
15.8
|
0.7
|
|
SG
|
A:CYS193
|
4.8
|
15.3
|
0.7
|
|
SG
|
A:CYS196
|
4.9
|
15.2
|
0.7
|
|
CB
|
A:THR161
|
4.9
|
15.6
|
0.7
|
|
SG
|
A:CYS190
|
4.9
|
15.1
|
0.7
|
|
O
|
A:CYS157
|
4.9
|
16.3
|
0.7
|
|
Reference:
J.H.Artz,
O.A.Zadvornyy,
D.W.Mulder,
S.M.Keable,
A.E.Cohen,
M.W.Ratzloff,
S.G.Williams,
B.Ginovska,
N.Kumar,
J.Song,
S.E.Mcphillips,
C.Davidson,
A.Y.Lyubimov,
N.Pence,
G.J.Schut,
A.K.Jones,
S.M.Soltis,
M.Adams,
S.Raugei,
P.W.King,
J.W.Peters.
Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases. J.Am.Chem.Soc. 2019.
ISSN: ESSN 1520-5126
PubMed: 31816235
DOI: 10.1021/JACS.9B08756
Page generated: Sun Dec 13 16:44:46 2020
|
