Iron in PDB 4wcx: Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Protein crystallography data
The structure of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase, PDB code: 4wcx
was solved by
P.C.Dinis,
J.E.Harmer,
R.C.Driesener,
P.L.Roach,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
84.33 /
1.59
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
54.130,
56.190,
84.920,
89.59,
83.62,
66.84
|
R / Rfree (%)
|
18 /
21.3
|
Other elements in 4wcx:
The structure of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
17;
Binding sites:
The binding sites of Iron atom in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
(pdb code 4wcx). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 17 binding sites of Iron where determined in the
Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase, PDB code: 4wcx:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 17 in 4wcx
Go back to
Iron Binding Sites List in 4wcx
Iron binding site 1 out
of 17 in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:28.0
occ:1.00
|
FE1
|
A:SF4501
|
0.0
|
28.0
|
1.0
|
SG
|
A:CYS97
|
2.2
|
29.7
|
1.0
|
S4
|
A:SF4501
|
2.2
|
28.6
|
1.0
|
S3
|
A:SF4501
|
2.2
|
31.5
|
1.0
|
S2
|
A:SF4501
|
2.3
|
26.4
|
1.0
|
FE2
|
A:SF4501
|
2.7
|
26.8
|
1.0
|
FE4
|
A:SF4501
|
2.8
|
27.8
|
1.0
|
FE3
|
A:SF4501
|
2.9
|
30.4
|
1.0
|
HB3
|
A:CYS97
|
3.0
|
33.8
|
1.0
|
CB
|
A:CYS97
|
3.0
|
28.2
|
1.0
|
HB2
|
A:CYS97
|
3.1
|
33.8
|
1.0
|
HB2
|
A:TYR99
|
3.2
|
44.2
|
1.0
|
S1
|
A:SF4501
|
3.8
|
26.2
|
1.0
|
HE1
|
A:MET503
|
3.9
|
64.3
|
1.0
|
HE21
|
A:GLN354
|
3.9
|
53.0
|
1.0
|
H
|
A:TYR99
|
4.0
|
44.2
|
1.0
|
HB2
|
A:CYS94
|
4.0
|
34.8
|
1.0
|
N
|
A:MET503
|
4.0
|
26.1
|
1.0
|
CB
|
A:TYR99
|
4.2
|
36.8
|
1.0
|
HA
|
A:MET503
|
4.4
|
45.2
|
1.0
|
CA
|
A:CYS97
|
4.4
|
31.5
|
1.0
|
HD2
|
A:TYR99
|
4.5
|
53.5
|
1.0
|
HB3
|
A:TYR99
|
4.5
|
44.2
|
1.0
|
SG
|
A:CYS94
|
4.7
|
25.4
|
1.0
|
C
|
A:TYR99
|
4.7
|
33.4
|
1.0
|
HG3
|
A:GLN354
|
4.7
|
51.3
|
1.0
|
NE2
|
A:GLN354
|
4.7
|
44.1
|
1.0
|
N
|
A:TYR99
|
4.7
|
36.8
|
1.0
|
CE
|
A:MET503
|
4.7
|
53.6
|
1.0
|
HA
|
A:CYS97
|
4.7
|
37.8
|
1.0
|
H
|
A:ARG100
|
4.8
|
41.9
|
1.0
|
CA
|
A:TYR99
|
4.8
|
38.9
|
1.0
|
N
|
A:ARG100
|
4.8
|
34.9
|
1.0
|
CB
|
A:CYS94
|
4.8
|
29.0
|
1.0
|
CA
|
A:MET503
|
4.8
|
37.7
|
1.0
|
HE3
|
A:MET503
|
4.8
|
64.3
|
1.0
|
HE1
|
A:TYR96
|
4.9
|
29.7
|
1.0
|
C
|
A:CYS97
|
4.9
|
34.3
|
1.0
|
HA
|
A:ARG100
|
4.9
|
43.1
|
1.0
|
HZ2
|
A:LYS210
|
4.9
|
30.2
|
1.0
|
SG
|
A:CYS90
|
5.0
|
29.1
|
1.0
|
|
Iron binding site 2 out
of 17 in 4wcx
Go back to
Iron Binding Sites List in 4wcx
Iron binding site 2 out
of 17 in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:26.8
occ:1.00
|
FE2
|
A:SF4501
|
0.0
|
26.8
|
1.0
|
S1
|
A:SF4501
|
2.1
|
26.2
|
1.0
|
S3
|
A:SF4501
|
2.2
|
31.5
|
1.0
|
S4
|
A:SF4501
|
2.2
|
28.6
|
1.0
|
SG
|
A:CYS90
|
2.3
|
29.1
|
1.0
|
FE1
|
A:SF4501
|
2.7
|
28.0
|
1.0
|
FE4
|
A:SF4501
|
2.7
|
27.8
|
1.0
|
FE3
|
A:SF4501
|
2.8
|
30.4
|
1.0
|
CB
|
A:CYS90
|
3.3
|
33.4
|
1.0
|
HB2
|
A:CYS90
|
3.3
|
40.0
|
1.0
|
HB3
|
A:CYS90
|
3.4
|
40.0
|
1.0
|
HB2
|
A:ASN92
|
3.5
|
35.5
|
1.0
|
HD22
|
A:ASN92
|
3.7
|
28.0
|
1.0
|
H
|
A:GLU136
|
3.7
|
36.2
|
1.0
|
S2
|
A:SF4501
|
3.8
|
26.4
|
1.0
|
HA2
|
A:GLY135
|
3.9
|
42.8
|
1.0
|
HB2
|
A:TYR99
|
4.1
|
44.2
|
1.0
|
HA3
|
A:GLY135
|
4.3
|
42.8
|
1.0
|
H
|
A:ASN92
|
4.4
|
37.7
|
1.0
|
CB
|
A:ASN92
|
4.5
|
29.6
|
1.0
|
N
|
A:GLU136
|
4.5
|
30.1
|
1.0
|
O
|
A:TYR99
|
4.5
|
34.0
|
1.0
|
ND2
|
A:ASN92
|
4.5
|
23.3
|
1.0
|
HB3
|
A:TYR99
|
4.5
|
44.2
|
1.0
|
CA
|
A:GLY135
|
4.5
|
35.7
|
1.0
|
HA
|
A:ARG100
|
4.6
|
43.1
|
1.0
|
O
|
A:MET503
|
4.6
|
23.3
|
1.0
|
HA
|
A:MET503
|
4.6
|
45.2
|
1.0
|
SG
|
A:CYS94
|
4.7
|
25.4
|
1.0
|
CA
|
A:CYS90
|
4.7
|
36.3
|
1.0
|
SG
|
A:CYS97
|
4.7
|
29.7
|
1.0
|
HB3
|
A:GLU136
|
4.7
|
34.9
|
1.0
|
CB
|
A:TYR99
|
4.8
|
36.8
|
1.0
|
HA
|
A:CYS90
|
4.8
|
43.5
|
1.0
|
C
|
A:TYR99
|
4.8
|
33.4
|
1.0
|
HB3
|
A:CYS97
|
4.9
|
33.8
|
1.0
|
HB3
|
A:ASN92
|
4.9
|
35.5
|
1.0
|
O
|
A:ASN92
|
4.9
|
33.2
|
1.0
|
HB2
|
A:CYS94
|
5.0
|
34.8
|
1.0
|
|
Iron binding site 3 out
of 17 in 4wcx
Go back to
Iron Binding Sites List in 4wcx
Iron binding site 3 out
of 17 in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:30.4
occ:1.00
|
FE3
|
A:SF4501
|
0.0
|
30.4
|
1.0
|
S2
|
A:SF4501
|
2.2
|
26.4
|
1.0
|
S1
|
A:SF4501
|
2.3
|
26.2
|
1.0
|
S4
|
A:SF4501
|
2.3
|
28.6
|
1.0
|
O
|
A:MET503
|
2.4
|
23.3
|
1.0
|
N
|
A:MET503
|
2.6
|
26.1
|
1.0
|
HA
|
A:MET503
|
2.8
|
45.2
|
1.0
|
FE4
|
A:SF4501
|
2.8
|
27.8
|
1.0
|
FE2
|
A:SF4501
|
2.8
|
26.8
|
1.0
|
FE1
|
A:SF4501
|
2.9
|
28.0
|
1.0
|
CA
|
A:MET503
|
2.9
|
37.7
|
1.0
|
C
|
A:MET503
|
3.0
|
44.6
|
1.0
|
HZ2
|
A:LYS210
|
3.3
|
30.2
|
1.0
|
S3
|
A:SF4501
|
3.8
|
31.5
|
1.0
|
HA2
|
A:GLY135
|
3.9
|
42.8
|
1.0
|
NZ
|
A:LYS210
|
4.1
|
25.2
|
1.0
|
OXT
|
A:MET503
|
4.1
|
40.4
|
1.0
|
HZ3
|
A:LYS210
|
4.2
|
30.2
|
1.0
|
O
|
A:HOH955
|
4.3
|
33.6
|
1.0
|
O
|
A:HOH841
|
4.3
|
28.2
|
1.0
|
HE1
|
A:MET503
|
4.4
|
64.3
|
1.0
|
HZ1
|
A:LYS210
|
4.4
|
30.2
|
1.0
|
CB
|
A:MET503
|
4.4
|
38.8
|
1.0
|
HD2
|
A:LYS210
|
4.5
|
28.5
|
1.0
|
SG
|
A:CYS90
|
4.6
|
29.1
|
1.0
|
HD22
|
A:ASN92
|
4.7
|
28.0
|
1.0
|
H
|
A:GLU136
|
4.8
|
36.2
|
1.0
|
HB2
|
A:MET503
|
4.8
|
46.5
|
1.0
|
CA
|
A:GLY135
|
4.8
|
35.7
|
1.0
|
HG2
|
A:MET503
|
4.8
|
51.0
|
1.0
|
SG
|
A:CYS97
|
4.9
|
29.7
|
1.0
|
HE21
|
A:GLN354
|
4.9
|
53.0
|
1.0
|
SG
|
A:CYS94
|
4.9
|
25.4
|
1.0
|
HB3
|
A:MET503
|
4.9
|
46.5
|
1.0
|
|
Iron binding site 4 out
of 17 in 4wcx
Go back to
Iron Binding Sites List in 4wcx
Iron binding site 4 out
of 17 in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:27.8
occ:1.00
|
FE4
|
A:SF4501
|
0.0
|
27.8
|
1.0
|
S1
|
A:SF4501
|
2.2
|
26.2
|
1.0
|
S3
|
A:SF4501
|
2.2
|
31.5
|
1.0
|
SG
|
A:CYS94
|
2.2
|
25.4
|
1.0
|
S2
|
A:SF4501
|
2.2
|
26.4
|
1.0
|
FE2
|
A:SF4501
|
2.7
|
26.8
|
1.0
|
FE1
|
A:SF4501
|
2.8
|
28.0
|
1.0
|
FE3
|
A:SF4501
|
2.8
|
30.4
|
1.0
|
HZ3
|
A:LYS210
|
3.0
|
30.2
|
1.0
|
HB2
|
A:CYS94
|
3.0
|
34.8
|
1.0
|
HZ2
|
A:LYS210
|
3.1
|
30.2
|
1.0
|
CB
|
A:CYS94
|
3.2
|
29.0
|
1.0
|
NZ
|
A:LYS210
|
3.5
|
25.2
|
1.0
|
HB2
|
A:ASN92
|
3.5
|
35.5
|
1.0
|
HD3
|
A:LYS210
|
3.6
|
28.5
|
1.0
|
HB3
|
A:CYS94
|
3.7
|
34.8
|
1.0
|
H
|
A:CYS94
|
3.8
|
35.3
|
1.0
|
S4
|
A:SF4501
|
3.8
|
28.6
|
1.0
|
HD2
|
A:LYS210
|
3.8
|
28.5
|
1.0
|
HB3
|
A:CYS97
|
3.9
|
33.8
|
1.0
|
HB2
|
A:CYS97
|
4.0
|
33.8
|
1.0
|
HZ1
|
A:LYS210
|
4.1
|
30.2
|
1.0
|
CD
|
A:LYS210
|
4.1
|
23.8
|
1.0
|
HD22
|
A:ASN92
|
4.1
|
28.0
|
1.0
|
HB3
|
A:ASN92
|
4.2
|
35.5
|
1.0
|
CB
|
A:ASN92
|
4.3
|
29.6
|
1.0
|
CB
|
A:CYS97
|
4.3
|
28.2
|
1.0
|
CE
|
A:LYS210
|
4.4
|
19.5
|
1.0
|
N
|
A:CYS94
|
4.5
|
29.4
|
1.0
|
CA
|
A:CYS94
|
4.5
|
29.1
|
1.0
|
HE1
|
A:TYR96
|
4.5
|
29.7
|
1.0
|
SG
|
A:CYS97
|
4.6
|
29.7
|
1.0
|
SG
|
A:CYS90
|
4.6
|
29.1
|
1.0
|
ND2
|
A:ASN92
|
4.7
|
23.3
|
1.0
|
OH
|
A:TYR96
|
4.7
|
21.1
|
1.0
|
HD2
|
A:HIS205
|
4.7
|
31.9
|
1.0
|
O
|
A:MET503
|
4.9
|
23.3
|
1.0
|
HA
|
A:CYS94
|
5.0
|
34.9
|
1.0
|
CG
|
A:ASN92
|
5.0
|
23.4
|
1.0
|
CE1
|
A:TYR96
|
5.0
|
24.8
|
1.0
|
|
Iron binding site 5 out
of 17 in 4wcx
Go back to
Iron Binding Sites List in 4wcx
Iron binding site 5 out
of 17 in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:21.9
occ:1.00
|
FE1
|
A:SF4502
|
0.0
|
21.9
|
1.0
|
S4
|
A:SF4502
|
2.2
|
21.3
|
1.0
|
S2
|
A:SF4502
|
2.2
|
20.5
|
1.0
|
S3
|
A:SF4502
|
2.2
|
22.8
|
1.0
|
SG
|
A:CYS380
|
2.3
|
20.2
|
1.0
|
FE2
|
A:SF4502
|
2.6
|
20.8
|
1.0
|
FE3
|
A:SF4502
|
2.7
|
21.2
|
1.0
|
FE4
|
A:SF4502
|
2.7
|
20.9
|
1.0
|
HB3
|
A:CYS380
|
2.9
|
29.1
|
1.0
|
CB
|
A:CYS380
|
3.2
|
24.2
|
1.0
|
H
|
A:ALA382
|
3.4
|
24.4
|
1.0
|
HD22
|
A:ASN409
|
3.4
|
23.8
|
1.0
|
HB3
|
A:ALA382
|
3.5
|
27.8
|
1.0
|
S1
|
A:SF4502
|
3.6
|
19.8
|
1.0
|
HB2
|
A:CYS380
|
3.7
|
29.1
|
1.0
|
H
|
A:CYS383
|
3.8
|
27.2
|
1.0
|
HA
|
A:CYS406
|
4.1
|
23.9
|
1.0
|
N
|
A:ALA382
|
4.1
|
20.3
|
1.0
|
ND2
|
A:ASN409
|
4.2
|
19.8
|
1.0
|
C
|
A:CYS380
|
4.3
|
21.1
|
1.0
|
HB2
|
A:ASN409
|
4.3
|
20.5
|
1.0
|
CB
|
A:ALA382
|
4.3
|
23.1
|
1.0
|
CA
|
A:CYS380
|
4.3
|
23.5
|
1.0
|
O
|
A:CYS380
|
4.4
|
21.6
|
1.0
|
HB3
|
A:ASN409
|
4.4
|
20.5
|
1.0
|
HB2
|
A:ALA382
|
4.5
|
27.8
|
1.0
|
N
|
A:CYS383
|
4.6
|
22.7
|
1.0
|
O
|
A:HOH681
|
4.6
|
24.9
|
1.0
|
S
|
A:H2S506
|
4.6
|
25.2
|
1.0
|
N
|
A:THR381
|
4.6
|
19.6
|
1.0
|
HD21
|
A:ASN409
|
4.7
|
23.8
|
1.0
|
SG
|
A:CYS383
|
4.7
|
23.9
|
1.0
|
CB
|
A:ASN409
|
4.7
|
17.1
|
1.0
|
CA
|
A:ALA382
|
4.7
|
23.9
|
1.0
|
HB2
|
A:CYS383
|
4.8
|
30.7
|
1.0
|
HA
|
A:CYS380
|
4.8
|
28.2
|
1.0
|
SG
|
A:CYS406
|
4.8
|
22.4
|
1.0
|
HA
|
A:THR381
|
4.9
|
27.2
|
1.0
|
H
|
A:THR381
|
4.9
|
23.6
|
1.0
|
HB3
|
A:CYS406
|
4.9
|
23.1
|
1.0
|
CA
|
A:CYS406
|
5.0
|
19.9
|
1.0
|
CG
|
A:ASN409
|
5.0
|
22.7
|
1.0
|
|
Iron binding site 6 out
of 17 in 4wcx
Go back to
Iron Binding Sites List in 4wcx
Iron binding site 6 out
of 17 in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:20.8
occ:1.00
|
FE2
|
A:SF4502
|
0.0
|
20.8
|
1.0
|
S1
|
A:SF4502
|
2.1
|
19.8
|
1.0
|
S4
|
A:SF4502
|
2.2
|
21.3
|
1.0
|
S3
|
A:SF4502
|
2.2
|
22.8
|
1.0
|
S
|
A:H2S506
|
2.3
|
25.2
|
1.0
|
FE1
|
A:SF4502
|
2.6
|
21.9
|
1.0
|
FE3
|
A:SF4502
|
2.7
|
21.2
|
1.0
|
FE4
|
A:SF4502
|
2.8
|
20.9
|
1.0
|
HB3
|
A:ALA505
|
3.1
|
33.3
|
0.9
|
HB2
|
A:ALA505
|
3.3
|
33.3
|
0.9
|
O
|
A:HOH914
|
3.6
|
31.1
|
1.0
|
CB
|
A:ALA505
|
3.6
|
27.7
|
0.9
|
S2
|
A:SF4502
|
3.8
|
20.5
|
1.0
|
N
|
A:ALA505
|
4.0
|
23.1
|
0.9
|
FE
|
A:FE504
|
4.1
|
24.2
|
0.7
|
HB3
|
A:CYS380
|
4.1
|
29.1
|
1.0
|
HG21
|
A:VAL79
|
4.2
|
32.5
|
1.0
|
HH12
|
A:ARG129
|
4.4
|
34.4
|
1.0
|
HB1
|
A:ALA505
|
4.4
|
33.3
|
0.9
|
CA
|
A:ALA505
|
4.5
|
29.1
|
0.9
|
HE1
|
A:PHE393
|
4.5
|
40.6
|
1.0
|
HB2
|
A:CYS383
|
4.6
|
30.7
|
1.0
|
SG
|
A:CYS383
|
4.6
|
23.9
|
1.0
|
SG
|
A:CYS380
|
4.7
|
20.2
|
1.0
|
H
|
A:CYS383
|
4.8
|
27.2
|
1.0
|
SG
|
A:CYS406
|
4.9
|
22.4
|
1.0
|
CB
|
A:CYS380
|
4.9
|
24.2
|
1.0
|
O
|
A:HOH781
|
4.9
|
26.3
|
1.0
|
O
|
A:CYS380
|
4.9
|
21.6
|
1.0
|
O
|
A:HOH913
|
4.9
|
27.0
|
1.0
|
O
|
A:HOH728
|
5.0
|
27.0
|
1.0
|
NH1
|
A:ARG129
|
5.0
|
28.6
|
1.0
|
O
|
A:HOH970
|
5.0
|
33.3
|
1.0
|
|
Iron binding site 7 out
of 17 in 4wcx
Go back to
Iron Binding Sites List in 4wcx
Iron binding site 7 out
of 17 in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:21.2
occ:1.00
|
FE3
|
A:SF4502
|
0.0
|
21.2
|
1.0
|
S4
|
A:SF4502
|
2.1
|
21.3
|
1.0
|
S1
|
A:SF4502
|
2.2
|
19.8
|
1.0
|
S2
|
A:SF4502
|
2.2
|
20.5
|
1.0
|
SG
|
A:CYS383
|
2.2
|
23.9
|
1.0
|
FE4
|
A:SF4502
|
2.7
|
20.9
|
1.0
|
FE1
|
A:SF4502
|
2.7
|
21.9
|
1.0
|
FE2
|
A:SF4502
|
2.7
|
20.8
|
1.0
|
HB2
|
A:CYS383
|
3.1
|
30.7
|
1.0
|
H
|
A:CYS383
|
3.2
|
27.2
|
1.0
|
CB
|
A:CYS383
|
3.3
|
25.6
|
1.0
|
HE1
|
A:PHE396
|
3.6
|
47.1
|
1.0
|
HH11
|
A:ARG388
|
3.7
|
29.6
|
1.0
|
S3
|
A:SF4502
|
3.7
|
22.8
|
1.0
|
HE1
|
A:PHE393
|
3.8
|
40.6
|
1.0
|
N
|
A:CYS383
|
3.8
|
22.7
|
1.0
|
O
|
A:HOH914
|
3.8
|
31.1
|
1.0
|
HB3
|
A:CYS383
|
4.1
|
30.7
|
1.0
|
CA
|
A:CYS383
|
4.1
|
21.1
|
1.0
|
CE1
|
A:PHE396
|
4.2
|
39.2
|
1.0
|
HB3
|
A:ALA382
|
4.2
|
27.8
|
1.0
|
HA
|
A:CYS383
|
4.3
|
25.3
|
1.0
|
HZ
|
A:PHE396
|
4.3
|
46.8
|
1.0
|
HD2
|
A:ARG388
|
4.3
|
34.0
|
1.0
|
NH1
|
A:ARG388
|
4.4
|
24.6
|
1.0
|
HH12
|
A:ARG388
|
4.5
|
29.6
|
1.0
|
HD1
|
A:PHE393
|
4.5
|
44.3
|
1.0
|
CZ
|
A:PHE396
|
4.6
|
39.0
|
1.0
|
CE1
|
A:PHE393
|
4.6
|
33.8
|
1.0
|
S
|
A:H2S506
|
4.6
|
25.2
|
1.0
|
H
|
A:ALA382
|
4.7
|
24.4
|
1.0
|
SG
|
A:CYS406
|
4.7
|
22.4
|
1.0
|
SG
|
A:CYS380
|
4.8
|
20.2
|
1.0
|
HD22
|
A:ASN409
|
4.9
|
23.8
|
1.0
|
C
|
A:ALA382
|
4.9
|
25.8
|
1.0
|
CD1
|
A:PHE393
|
5.0
|
36.9
|
1.0
|
|
Iron binding site 8 out
of 17 in 4wcx
Go back to
Iron Binding Sites List in 4wcx
Iron binding site 8 out
of 17 in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:20.9
occ:1.00
|
FE4
|
A:SF4502
|
0.0
|
20.9
|
1.0
|
S1
|
A:SF4502
|
2.2
|
19.8
|
1.0
|
S3
|
A:SF4502
|
2.2
|
22.8
|
1.0
|
S2
|
A:SF4502
|
2.2
|
20.5
|
1.0
|
SG
|
A:CYS406
|
2.3
|
22.4
|
1.0
|
FE3
|
A:SF4502
|
2.7
|
21.2
|
1.0
|
FE1
|
A:SF4502
|
2.7
|
21.9
|
1.0
|
FE2
|
A:SF4502
|
2.8
|
20.8
|
1.0
|
HA
|
A:CYS406
|
3.2
|
23.9
|
1.0
|
HB3
|
A:CYS406
|
3.3
|
23.1
|
1.0
|
CB
|
A:CYS406
|
3.3
|
19.2
|
1.0
|
CA
|
A:CYS406
|
3.7
|
19.9
|
1.0
|
S4
|
A:SF4502
|
3.8
|
21.3
|
1.0
|
HE1
|
A:PHE396
|
3.8
|
47.1
|
1.0
|
O
|
A:HOH728
|
4.0
|
27.0
|
1.0
|
HZ
|
A:PHE396
|
4.1
|
46.8
|
1.0
|
HB2
|
A:CYS406
|
4.1
|
23.1
|
1.0
|
H
|
A:CYS406
|
4.3
|
25.9
|
1.0
|
N
|
A:CYS406
|
4.3
|
21.6
|
1.0
|
HD22
|
A:ASN409
|
4.4
|
23.8
|
1.0
|
CE1
|
A:PHE396
|
4.5
|
39.2
|
1.0
|
HB2
|
A:ALA505
|
4.6
|
33.3
|
0.9
|
O
|
A:HOH781
|
4.7
|
26.3
|
1.0
|
CZ
|
A:PHE396
|
4.7
|
39.0
|
1.0
|
SG
|
A:CYS383
|
4.7
|
23.9
|
1.0
|
HE1
|
A:PHE393
|
4.7
|
40.6
|
1.0
|
SG
|
A:CYS380
|
4.8
|
20.2
|
1.0
|
HG12
|
A:ILE402
|
4.8
|
37.5
|
1.0
|
O
|
A:HOH681
|
4.9
|
24.9
|
1.0
|
HD11
|
A:ILE402
|
4.9
|
42.7
|
1.0
|
HB3
|
A:PHE405
|
4.9
|
29.1
|
1.0
|
S
|
A:H2S506
|
4.9
|
25.2
|
1.0
|
O
|
A:HOH970
|
4.9
|
33.3
|
1.0
|
HB3
|
A:CYS380
|
5.0
|
29.1
|
1.0
|
HG13
|
A:ILE402
|
5.0
|
37.5
|
1.0
|
|
Iron binding site 9 out
of 17 in 4wcx
Go back to
Iron Binding Sites List in 4wcx
Iron binding site 9 out
of 17 in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe504
b:24.2
occ:0.70
|
HE2
|
A:HIS265
|
1.4
|
36.9
|
1.0
|
O
|
A:HOH913
|
2.1
|
27.0
|
1.0
|
OXT
|
A:ALA505
|
2.2
|
24.8
|
0.9
|
N
|
A:ALA505
|
2.2
|
23.1
|
0.9
|
NE2
|
A:HIS265
|
2.2
|
30.7
|
1.0
|
O
|
A:HOH914
|
2.2
|
31.1
|
1.0
|
S
|
A:H2S506
|
2.5
|
25.2
|
1.0
|
C
|
A:ALA505
|
2.9
|
25.3
|
0.9
|
CA
|
A:ALA505
|
3.0
|
29.1
|
0.9
|
CE1
|
A:HIS265
|
3.1
|
28.7
|
1.0
|
HB3
|
A:ALA505
|
3.2
|
33.3
|
0.9
|
HE1
|
A:HIS265
|
3.2
|
34.4
|
1.0
|
CD2
|
A:HIS265
|
3.2
|
26.9
|
1.0
|
HD2
|
A:HIS265
|
3.5
|
32.2
|
1.0
|
CB
|
A:ALA505
|
3.6
|
27.7
|
0.9
|
HH22
|
A:ARG129
|
3.8
|
32.3
|
1.0
|
HA
|
A:ALA505
|
3.8
|
35.0
|
0.9
|
O
|
A:ALA505
|
4.1
|
25.6
|
0.9
|
HB2
|
A:ALA505
|
4.1
|
33.3
|
0.9
|
FE2
|
A:SF4502
|
4.1
|
20.8
|
1.0
|
HE21
|
A:GLN329
|
4.1
|
29.2
|
1.0
|
ND1
|
A:HIS265
|
4.2
|
26.9
|
1.0
|
HH12
|
A:ARG129
|
4.3
|
34.4
|
1.0
|
CG
|
A:HIS265
|
4.3
|
22.2
|
1.0
|
O
|
A:HOH850
|
4.3
|
24.7
|
1.0
|
HB1
|
A:ALA505
|
4.3
|
33.3
|
0.9
|
HE22
|
A:GLN329
|
4.4
|
29.2
|
1.0
|
NE2
|
A:GLN329
|
4.5
|
24.4
|
1.0
|
HZ
|
A:PHE393
|
4.5
|
37.0
|
1.0
|
S1
|
A:SF4502
|
4.6
|
19.8
|
1.0
|
HE1
|
A:PHE393
|
4.6
|
40.6
|
1.0
|
NH2
|
A:ARG129
|
4.6
|
26.9
|
1.0
|
O
|
A:HOH665
|
4.6
|
10.6
|
1.0
|
CZ
|
A:PHE393
|
4.7
|
30.9
|
1.0
|
CE1
|
A:PHE393
|
4.7
|
33.8
|
1.0
|
S4
|
A:SF4502
|
4.8
|
21.3
|
1.0
|
|
Iron binding site 10 out
of 17 in 4wcx
Go back to
Iron Binding Sites List in 4wcx
Iron binding site 10 out
of 17 in the Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Crystal Structure of Hydg: A Maturase of the [Fefe]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe501
b:18.3
occ:1.00
|
FE1
|
C:SF4501
|
0.0
|
18.3
|
1.0
|
S2
|
C:SF4501
|
2.2
|
18.9
|
1.0
|
S3
|
C:SF4501
|
2.2
|
18.0
|
1.0
|
SG
|
C:CYS90
|
2.2
|
18.7
|
1.0
|
S4
|
C:SF4501
|
2.2
|
19.4
|
1.0
|
FE4
|
C:SF4501
|
2.7
|
17.8
|
1.0
|
FE3
|
C:SF4501
|
2.8
|
17.9
|
1.0
|
FE2
|
C:SF4501
|
2.8
|
18.8
|
1.0
|
CB
|
C:CYS90
|
3.3
|
17.9
|
1.0
|
HB2
|
C:CYS90
|
3.3
|
21.4
|
1.0
|
HB2
|
C:ASN92
|
3.3
|
23.2
|
1.0
|
HB3
|
C:CYS90
|
3.4
|
21.4
|
1.0
|
H
|
C:GLU136
|
3.6
|
23.1
|
1.0
|
HB2
|
C:TYR99
|
3.8
|
19.6
|
1.0
|
S1
|
C:SF4501
|
3.8
|
18.6
|
1.0
|
HD22
|
C:ASN92
|
3.8
|
24.8
|
1.0
|
HA2
|
C:GLY135
|
3.9
|
20.4
|
1.0
|
HN1
|
C:SAM503
|
4.0
|
24.3
|
1.0
|
N
|
C:SAM503
|
4.1
|
20.3
|
1.0
|
H
|
C:ASN92
|
4.2
|
25.5
|
1.0
|
CB
|
C:ASN92
|
4.3
|
19.4
|
1.0
|
HB3
|
C:TYR99
|
4.4
|
19.6
|
1.0
|
HD2
|
C:TYR99
|
4.4
|
25.0
|
1.0
|
N
|
C:GLU136
|
4.4
|
19.3
|
1.0
|
CB
|
C:TYR99
|
4.5
|
16.3
|
1.0
|
HA
|
C:ARG100
|
4.5
|
20.4
|
1.0
|
HA3
|
C:GLY135
|
4.5
|
20.4
|
1.0
|
O
|
C:ASN92
|
4.6
|
22.3
|
1.0
|
CA
|
C:GLY135
|
4.6
|
17.0
|
1.0
|
ND2
|
C:ASN92
|
4.6
|
20.6
|
1.0
|
SG
|
C:CYS94
|
4.6
|
18.9
|
1.0
|
CA
|
C:CYS90
|
4.7
|
19.4
|
1.0
|
HB3
|
C:ASN92
|
4.7
|
23.2
|
1.0
|
HB3
|
C:GLU136
|
4.7
|
26.0
|
1.0
|
HA
|
C:CYS90
|
4.7
|
23.3
|
1.0
|
O
|
C:TYR99
|
4.7
|
18.7
|
1.0
|
O
|
C:SAM503
|
4.7
|
17.9
|
1.0
|
HE2
|
C:SAM503
|
4.8
|
31.9
|
0.5
|
SG
|
C:CYS97
|
4.8
|
17.7
|
1.0
|
HB2
|
C:CYS94
|
4.9
|
24.6
|
1.0
|
N
|
C:ASN92
|
4.9
|
21.2
|
1.0
|
HB3
|
C:CYS97
|
5.0
|
20.4
|
1.0
|
C
|
C:TYR99
|
5.0
|
16.5
|
1.0
|
|
Reference:
P.Dinis,
D.L.Suess,
S.J.Fox,
J.E.Harmer,
R.C.Driesener,
L.De La Paz,
J.R.Swartz,
J.W.Essex,
R.D.Britt,
P.L.Roach.
X-Ray Crystallographic and Epr Spectroscopic Analysis of Hydg, A Maturase in [Fefe]-Hydrogenase H-Cluster Assembly. Proc.Natl.Acad.Sci.Usa V. 112 1362 2015.
ISSN: ESSN 1091-6490
PubMed: 25605932
DOI: 10.1073/PNAS.1417252112
Page generated: Mon Aug 5 14:21:24 2024
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