Iron in PDB 8dqv: The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Enzymatic activity of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
All present enzymatic activity of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L):
1.12.99.6;
Other elements in 8dqv:
The structure of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Binding sites:
The binding sites of Iron atom in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
(pdb code 8dqv). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the
The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L), PDB code: 8dqv:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 20 in 8dqv
Go back to
Iron Binding Sites List in 8dqv
Iron binding site 1 out
of 20 in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe603
b:7.4
occ:1.00
|
FE
|
A:FCO603
|
0.0
|
7.4
|
1.0
|
C3
|
A:FCO603
|
1.9
|
7.4
|
1.0
|
C1
|
A:FCO603
|
1.9
|
7.4
|
1.0
|
C2
|
A:FCO603
|
1.9
|
7.4
|
1.0
|
O
|
A:O601
|
2.2
|
20.0
|
1.0
|
SG
|
A:CYS65
|
2.4
|
5.1
|
1.0
|
SG
|
A:CYS513
|
2.4
|
5.6
|
1.0
|
NI
|
A:3NI604
|
2.6
|
42.8
|
1.0
|
N1
|
A:FCO603
|
3.0
|
7.4
|
1.0
|
O3
|
A:FCO603
|
3.0
|
7.4
|
1.0
|
N2
|
A:FCO603
|
3.0
|
7.4
|
1.0
|
HD2
|
A:ARG443
|
3.2
|
6.8
|
1.0
|
CB
|
A:CYS65
|
3.4
|
5.1
|
1.0
|
CB
|
A:CYS513
|
3.4
|
5.6
|
1.0
|
HB3
|
A:CYS65
|
3.4
|
5.1
|
1.0
|
HB3
|
A:CYS513
|
3.5
|
5.6
|
1.0
|
HB2
|
A:CYS65
|
3.5
|
5.1
|
1.0
|
HE2
|
A:HIS69
|
3.5
|
4.5
|
1.0
|
HD2
|
A:PRO465
|
3.6
|
5.9
|
1.0
|
HB2
|
A:CYS513
|
3.6
|
5.6
|
1.0
|
HB3
|
A:CYS510
|
3.7
|
6.6
|
1.0
|
HG2
|
A:PRO465
|
3.8
|
5.9
|
1.0
|
HB2
|
A:ARG443
|
3.8
|
6.8
|
1.0
|
HH11
|
A:ARG443
|
4.0
|
6.8
|
1.0
|
HB3
|
A:ALA441
|
4.1
|
5.7
|
1.0
|
HB
|
A:THR464
|
4.1
|
5.5
|
1.0
|
CD
|
A:ARG443
|
4.1
|
6.8
|
1.0
|
HB1
|
A:ALA441
|
4.1
|
5.7
|
1.0
|
HB2
|
A:CYS510
|
4.2
|
6.6
|
1.0
|
NE2
|
A:HIS69
|
4.2
|
4.5
|
1.0
|
CB
|
A:CYS510
|
4.2
|
6.6
|
1.0
|
HD3
|
A:ARG443
|
4.3
|
6.8
|
1.0
|
HB3
|
A:CYS62
|
4.4
|
4.5
|
1.0
|
CD
|
A:PRO465
|
4.4
|
5.9
|
1.0
|
HB2
|
A:CYS62
|
4.5
|
4.5
|
1.0
|
SG
|
A:CYS510
|
4.5
|
6.6
|
1.0
|
CB
|
A:ALA441
|
4.5
|
5.7
|
1.0
|
HD2
|
A:HIS69
|
4.5
|
4.5
|
1.0
|
CG
|
A:PRO465
|
4.5
|
5.9
|
1.0
|
HB2
|
A:ALA441
|
4.6
|
5.7
|
1.0
|
CB
|
A:CYS62
|
4.7
|
4.5
|
1.0
|
CA
|
A:CYS65
|
4.7
|
5.1
|
1.0
|
HG1
|
A:THR466
|
4.7
|
6.3
|
1.0
|
CA
|
A:CYS513
|
4.7
|
5.6
|
1.0
|
CB
|
A:ARG443
|
4.7
|
6.8
|
1.0
|
NH1
|
A:ARG443
|
4.7
|
6.8
|
1.0
|
CD2
|
A:HIS69
|
4.7
|
4.5
|
1.0
|
SG
|
A:CYS62
|
4.7
|
4.5
|
1.0
|
HA
|
A:CYS513
|
4.8
|
5.6
|
1.0
|
HD22
|
A:LEU446
|
4.8
|
5.1
|
1.0
|
HG21
|
A:THR464
|
4.8
|
5.5
|
1.0
|
HD3
|
A:PRO465
|
4.9
|
5.9
|
1.0
|
HD13
|
A:LEU446
|
4.9
|
5.1
|
1.0
|
HG22
|
A:THR464
|
4.9
|
5.5
|
1.0
|
H
|
A:CYS65
|
5.0
|
5.1
|
1.0
|
H
|
A:ARG443
|
5.0
|
6.8
|
1.0
|
CG
|
A:ARG443
|
5.0
|
6.8
|
1.0
|
HG23
|
A:ILE64
|
5.0
|
5.4
|
1.0
|
|
Iron binding site 2 out
of 20 in 8dqv
Go back to
Iron Binding Sites List in 8dqv
Iron binding site 2 out
of 20 in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe402
b:7.1
occ:1.00
|
FE1
|
B:F3S402
|
0.0
|
7.1
|
1.0
|
S1
|
B:F3S402
|
2.2
|
7.1
|
1.0
|
S2
|
B:F3S402
|
2.3
|
7.1
|
1.0
|
S3
|
B:F3S402
|
2.3
|
7.1
|
1.0
|
SG
|
B:CYS161
|
2.3
|
3.2
|
1.0
|
HA
|
B:CYS161
|
2.6
|
3.2
|
1.0
|
FE3
|
B:F3S402
|
2.7
|
7.1
|
1.0
|
FE4
|
B:F3S402
|
2.7
|
7.1
|
1.0
|
CA
|
B:CYS161
|
3.3
|
3.2
|
1.0
|
HG3
|
A:ARG60
|
3.3
|
3.8
|
1.0
|
CB
|
B:CYS161
|
3.3
|
3.2
|
1.0
|
HG2
|
A:ARG60
|
3.6
|
3.8
|
1.0
|
HA
|
B:PRO162
|
3.6
|
3.2
|
1.0
|
O
|
B:HOH585
|
3.7
|
4.8
|
1.0
|
HD21
|
B:ASN15
|
3.7
|
4.2
|
1.0
|
HB2
|
B:CYS161
|
3.8
|
3.2
|
1.0
|
HE2
|
A:DHI166
|
3.8
|
3.4
|
1.0
|
C
|
B:CYS161
|
3.8
|
3.2
|
1.0
|
HE
|
A:ARG60
|
3.9
|
3.8
|
1.0
|
HD2
|
A:DHI166
|
3.9
|
3.4
|
1.0
|
CG
|
A:ARG60
|
3.9
|
3.8
|
1.0
|
S4
|
B:F3S402
|
3.9
|
7.1
|
1.0
|
HB3
|
B:CYS161
|
4.1
|
3.2
|
1.0
|
N
|
B:PRO162
|
4.2
|
3.2
|
1.0
|
O
|
B:GLY160
|
4.3
|
3.3
|
1.0
|
CA
|
B:PRO162
|
4.4
|
3.2
|
1.0
|
NE2
|
A:DHI166
|
4.4
|
3.4
|
1.0
|
O
|
B:CYS161
|
4.4
|
3.2
|
1.0
|
H
|
B:ASP112
|
4.4
|
4.0
|
1.0
|
HB2
|
B:ASP112
|
4.4
|
4.0
|
1.0
|
CD2
|
A:DHI166
|
4.4
|
3.4
|
1.0
|
H
|
B:CYS113
|
4.4
|
4.5
|
1.0
|
ND2
|
B:ASN15
|
4.4
|
4.2
|
1.0
|
SG
|
B:CYS113
|
4.4
|
4.5
|
1.0
|
N
|
B:CYS161
|
4.5
|
3.2
|
1.0
|
HB3
|
B:PRO162
|
4.6
|
3.2
|
1.0
|
NE
|
A:ARG60
|
4.6
|
3.8
|
1.0
|
SG
|
B:CYS12
|
4.6
|
4.6
|
1.0
|
HB3
|
A:ARG60
|
4.7
|
3.8
|
1.0
|
HG13
|
B:ILE119
|
4.8
|
4.7
|
1.0
|
HD22
|
B:ASN15
|
4.8
|
4.2
|
1.0
|
HA3
|
B:GLY111
|
4.9
|
3.8
|
1.0
|
C
|
B:GLY160
|
4.9
|
3.3
|
1.0
|
CD
|
A:ARG60
|
4.9
|
3.8
|
1.0
|
CB
|
A:ARG60
|
4.9
|
3.8
|
1.0
|
HE2
|
B:PHE268
|
4.9
|
4.3
|
1.0
|
|
Iron binding site 3 out
of 20 in 8dqv
Go back to
Iron Binding Sites List in 8dqv
Iron binding site 3 out
of 20 in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe402
b:7.1
occ:1.00
|
FE3
|
B:F3S402
|
0.0
|
7.1
|
1.0
|
S1
|
B:F3S402
|
2.2
|
7.1
|
1.0
|
S4
|
B:F3S402
|
2.3
|
7.1
|
1.0
|
S3
|
B:F3S402
|
2.3
|
7.1
|
1.0
|
SG
|
B:CYS113
|
2.3
|
4.5
|
1.0
|
FE1
|
B:F3S402
|
2.7
|
7.1
|
1.0
|
FE4
|
B:F3S402
|
2.7
|
7.1
|
1.0
|
HB2
|
B:CYS113
|
2.7
|
4.5
|
1.0
|
CB
|
B:CYS113
|
3.1
|
4.5
|
1.0
|
H
|
B:CYS113
|
3.2
|
4.5
|
1.0
|
HD21
|
B:ASN15
|
3.5
|
4.2
|
1.0
|
O
|
B:HOH509
|
3.7
|
5.0
|
1.0
|
O
|
B:HOH576
|
3.8
|
5.4
|
1.0
|
HB3
|
B:CYS113
|
3.8
|
4.5
|
1.0
|
O
|
B:HOH585
|
3.8
|
4.8
|
1.0
|
HA2
|
B:GLY73
|
3.8
|
4.5
|
1.0
|
N
|
B:CYS113
|
3.9
|
4.5
|
1.0
|
H
|
B:CYS12
|
3.9
|
4.6
|
1.0
|
S2
|
B:F3S402
|
3.9
|
7.1
|
1.0
|
HA
|
B:ALA11
|
4.0
|
4.8
|
1.0
|
CA
|
B:CYS113
|
4.1
|
4.5
|
1.0
|
ND2
|
B:ASN15
|
4.2
|
4.2
|
1.0
|
HD22
|
B:ASN15
|
4.2
|
4.2
|
1.0
|
H
|
B:GLY73
|
4.3
|
4.5
|
1.0
|
HA3
|
B:GLY111
|
4.4
|
3.8
|
1.0
|
SG
|
B:CYS161
|
4.5
|
3.2
|
1.0
|
HA
|
B:CYS113
|
4.5
|
4.5
|
1.0
|
HD3
|
B:PRO120
|
4.6
|
5.1
|
1.0
|
HB3
|
B:CYS12
|
4.7
|
4.6
|
1.0
|
CA
|
B:GLY73
|
4.7
|
4.5
|
1.0
|
O
|
B:GLY10
|
4.7
|
5.2
|
1.0
|
N
|
B:CYS12
|
4.7
|
4.6
|
1.0
|
H
|
B:ASP112
|
4.7
|
4.0
|
1.0
|
HB2
|
B:ASP112
|
4.8
|
4.0
|
1.0
|
HA
|
B:CYS161
|
4.8
|
3.2
|
1.0
|
N
|
B:GLY73
|
4.9
|
4.5
|
1.0
|
N
|
B:ASP112
|
4.9
|
4.0
|
1.0
|
H
|
B:ALA114
|
4.9
|
4.7
|
1.0
|
CA
|
B:ALA11
|
4.9
|
4.8
|
1.0
|
SG
|
B:CYS12
|
4.9
|
4.6
|
1.0
|
|
Iron binding site 4 out
of 20 in 8dqv
Go back to
Iron Binding Sites List in 8dqv
Iron binding site 4 out
of 20 in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe402
b:7.1
occ:1.00
|
FE4
|
B:F3S402
|
0.0
|
7.1
|
1.0
|
S4
|
B:F3S402
|
2.3
|
7.1
|
1.0
|
S2
|
B:F3S402
|
2.3
|
7.1
|
1.0
|
SG
|
B:CYS12
|
2.3
|
4.6
|
1.0
|
S3
|
B:F3S402
|
2.3
|
7.1
|
1.0
|
FE3
|
B:F3S402
|
2.7
|
7.1
|
1.0
|
FE1
|
B:F3S402
|
2.7
|
7.1
|
1.0
|
H
|
B:CYS12
|
2.9
|
4.6
|
1.0
|
HB3
|
B:CYS12
|
3.0
|
4.6
|
1.0
|
HE2
|
A:DHI166
|
3.2
|
3.4
|
1.0
|
H
|
B:GLY14
|
3.2
|
3.9
|
1.0
|
CB
|
B:CYS12
|
3.2
|
4.6
|
1.0
|
N
|
B:CYS12
|
3.6
|
4.6
|
1.0
|
HD21
|
B:ASN15
|
3.8
|
4.2
|
1.0
|
HA3
|
B:GLY14
|
3.8
|
3.9
|
1.0
|
S1
|
B:F3S402
|
3.8
|
7.1
|
1.0
|
CA
|
B:CYS12
|
3.9
|
4.6
|
1.0
|
HG3
|
A:ARG60
|
3.9
|
3.8
|
1.0
|
N
|
B:GLY14
|
3.9
|
3.9
|
1.0
|
HD22
|
B:ASN15
|
4.0
|
4.2
|
1.0
|
NE2
|
A:DHI166
|
4.0
|
3.4
|
1.0
|
HB2
|
B:CYS12
|
4.0
|
4.6
|
1.0
|
ND2
|
B:ASN15
|
4.1
|
4.2
|
1.0
|
H
|
B:SER13
|
4.1
|
4.8
|
1.0
|
H
|
B:ASN15
|
4.3
|
4.2
|
1.0
|
C
|
B:CYS12
|
4.3
|
4.6
|
1.0
|
O
|
B:HOH576
|
4.3
|
5.4
|
1.0
|
HA
|
A:ARG60
|
4.3
|
3.8
|
1.0
|
CA
|
B:GLY14
|
4.3
|
3.9
|
1.0
|
N
|
B:SER13
|
4.3
|
4.8
|
1.0
|
HA
|
B:ALA11
|
4.4
|
4.8
|
1.0
|
O
|
A:ARG60
|
4.5
|
3.8
|
1.0
|
HB3
|
A:ARG60
|
4.6
|
3.8
|
1.0
|
CG
|
A:ARG60
|
4.6
|
3.8
|
1.0
|
HG2
|
A:ARG60
|
4.7
|
3.8
|
1.0
|
HB3
|
B:PRO162
|
4.7
|
3.2
|
1.0
|
SG
|
B:CYS113
|
4.7
|
4.5
|
1.0
|
HA
|
B:CYS12
|
4.8
|
4.6
|
1.0
|
C
|
B:ALA11
|
4.8
|
4.8
|
1.0
|
SG
|
B:CYS161
|
4.8
|
3.2
|
1.0
|
HD2
|
A:DHI166
|
4.8
|
3.4
|
1.0
|
CD2
|
A:DHI166
|
4.9
|
3.4
|
1.0
|
N
|
B:ASN15
|
4.9
|
4.2
|
1.0
|
HA
|
B:PRO162
|
4.9
|
3.2
|
1.0
|
HA
|
B:CYS161
|
4.9
|
3.2
|
1.0
|
CB
|
A:ARG60
|
5.0
|
3.8
|
1.0
|
CE1
|
A:DHI166
|
5.0
|
3.4
|
1.0
|
OE2
|
B:GLU72
|
5.0
|
5.0
|
1.0
|
HB1
|
B:ALA11
|
5.0
|
4.8
|
1.0
|
CA
|
A:ARG60
|
5.0
|
3.8
|
1.0
|
|
Iron binding site 5 out
of 20 in 8dqv
Go back to
Iron Binding Sites List in 8dqv
Iron binding site 5 out
of 20 in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe403
b:7.1
occ:1.00
|
FE1
|
B:F3S403
|
0.0
|
7.1
|
1.0
|
S1
|
B:F3S403
|
2.2
|
7.1
|
1.0
|
S2
|
B:F3S403
|
2.3
|
7.1
|
1.0
|
S3
|
B:F3S403
|
2.3
|
7.1
|
1.0
|
SG
|
B:CYS260
|
2.3
|
3.4
|
1.0
|
FE3
|
B:F3S403
|
2.7
|
7.1
|
1.0
|
FE4
|
B:F3S403
|
2.7
|
7.1
|
1.0
|
HA
|
B:CYS260
|
3.1
|
3.4
|
1.0
|
CB
|
B:CYS260
|
3.2
|
3.4
|
1.0
|
HB2
|
B:CYS260
|
3.3
|
3.4
|
1.0
|
H
|
B:GLY262
|
3.3
|
3.5
|
1.0
|
HG21
|
B:THR199
|
3.3
|
3.2
|
1.0
|
H
|
B:LEU261
|
3.3
|
3.5
|
1.0
|
HD2
|
B:LYS253
|
3.5
|
2.8
|
1.0
|
H
|
B:CYS263
|
3.5
|
3.6
|
1.0
|
CA
|
B:CYS260
|
3.6
|
3.4
|
1.0
|
OG1
|
B:THR199
|
3.6
|
3.2
|
1.0
|
HG21
|
B:THR238
|
3.7
|
3.5
|
1.0
|
HZ3
|
B:LYS253
|
3.7
|
2.8
|
1.0
|
N
|
B:LEU261
|
3.8
|
3.5
|
1.0
|
S4
|
B:F3S403
|
3.9
|
7.1
|
1.0
|
N
|
B:GLY262
|
4.0
|
3.5
|
1.0
|
HG1
|
B:THR199
|
4.0
|
3.2
|
1.0
|
C
|
B:CYS260
|
4.1
|
3.4
|
1.0
|
HB3
|
B:CYS260
|
4.1
|
3.4
|
1.0
|
CG2
|
B:THR199
|
4.2
|
3.2
|
1.0
|
HA2
|
B:GLY262
|
4.2
|
3.5
|
1.0
|
N
|
B:CYS263
|
4.3
|
3.6
|
1.0
|
CB
|
B:THR199
|
4.4
|
3.2
|
1.0
|
CD
|
B:LYS253
|
4.4
|
2.8
|
1.0
|
NZ
|
B:LYS253
|
4.4
|
2.8
|
1.0
|
HG23
|
B:THR199
|
4.5
|
3.2
|
1.0
|
HZ2
|
B:LYS253
|
4.5
|
2.8
|
1.0
|
HG
|
B:SER240
|
4.5
|
3.2
|
1.0
|
CA
|
B:GLY262
|
4.6
|
3.5
|
1.0
|
CG2
|
B:THR238
|
4.6
|
3.5
|
1.0
|
HB2
|
B:LYS253
|
4.6
|
2.8
|
1.0
|
HB3
|
B:CYS263
|
4.6
|
3.6
|
1.0
|
HB
|
B:THR199
|
4.6
|
3.2
|
1.0
|
HG22
|
B:THR238
|
4.8
|
3.5
|
1.0
|
C
|
B:LEU261
|
4.8
|
3.5
|
1.0
|
CA
|
B:LEU261
|
4.8
|
3.5
|
1.0
|
HG22
|
B:THR199
|
4.8
|
3.2
|
1.0
|
SG
|
B:CYS242
|
4.8
|
3.2
|
1.0
|
HE2
|
B:LYS253
|
4.9
|
2.8
|
1.0
|
CE
|
B:LYS253
|
4.9
|
2.8
|
1.0
|
HD3
|
B:LYS253
|
4.9
|
2.8
|
1.0
|
SG
|
B:CYS263
|
4.9
|
3.6
|
1.0
|
N
|
B:CYS260
|
4.9
|
3.4
|
1.0
|
H
|
B:THR264
|
4.9
|
3.6
|
1.0
|
HB2
|
B:LEU261
|
4.9
|
3.5
|
1.0
|
HB
|
B:THR238
|
4.9
|
3.5
|
1.0
|
HG23
|
B:THR264
|
5.0
|
3.6
|
1.0
|
HB2
|
B:CYS242
|
5.0
|
3.2
|
1.0
|
C
|
B:GLY262
|
5.0
|
3.5
|
1.0
|
|
Iron binding site 6 out
of 20 in 8dqv
Go back to
Iron Binding Sites List in 8dqv
Iron binding site 6 out
of 20 in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe403
b:7.1
occ:1.00
|
FE3
|
B:F3S403
|
0.0
|
7.1
|
1.0
|
S1
|
B:F3S403
|
2.2
|
7.1
|
1.0
|
S4
|
B:F3S403
|
2.3
|
7.1
|
1.0
|
S3
|
B:F3S403
|
2.3
|
7.1
|
1.0
|
SG
|
B:CYS242
|
2.3
|
3.2
|
1.0
|
FE4
|
B:F3S403
|
2.7
|
7.1
|
1.0
|
FE1
|
B:F3S403
|
2.7
|
7.1
|
1.0
|
CB
|
B:CYS242
|
3.2
|
3.2
|
1.0
|
HB3
|
B:CYS242
|
3.2
|
3.2
|
1.0
|
HB2
|
B:CYS242
|
3.2
|
3.2
|
1.0
|
HG
|
B:SER240
|
3.2
|
3.2
|
1.0
|
HE1
|
B:TRP247
|
3.4
|
3.6
|
1.0
|
OG1
|
B:THR199
|
3.7
|
3.2
|
1.0
|
O
|
A:HOH738
|
3.8
|
2.9
|
1.0
|
HZ3
|
B:LYS253
|
3.9
|
2.8
|
1.0
|
HH2
|
B:TRP167
|
3.9
|
3.7
|
1.0
|
S2
|
B:F3S403
|
3.9
|
7.1
|
1.0
|
OG
|
B:SER240
|
4.1
|
3.2
|
1.0
|
HG21
|
B:THR199
|
4.1
|
3.2
|
1.0
|
NE1
|
B:TRP247
|
4.1
|
3.6
|
1.0
|
HZ2
|
B:LYS253
|
4.1
|
2.8
|
1.0
|
HG23
|
B:THR264
|
4.1
|
3.6
|
1.0
|
HB2
|
B:SER240
|
4.2
|
3.2
|
1.0
|
HG1
|
B:THR199
|
4.2
|
3.2
|
1.0
|
HG23
|
B:THR199
|
4.4
|
3.2
|
1.0
|
NZ
|
B:LYS253
|
4.4
|
2.8
|
1.0
|
HD2
|
B:LYS253
|
4.5
|
2.8
|
1.0
|
CB
|
B:SER240
|
4.5
|
3.2
|
1.0
|
HB3
|
B:SER240
|
4.5
|
3.2
|
1.0
|
OE1
|
A:GLN163
|
4.6
|
3.9
|
1.0
|
CG2
|
B:THR199
|
4.6
|
3.2
|
1.0
|
CA
|
B:CYS242
|
4.6
|
3.2
|
1.0
|
HZ2
|
B:TRP247
|
4.6
|
3.6
|
1.0
|
HZ2
|
B:TRP167
|
4.7
|
3.7
|
1.0
|
H
|
B:CYS242
|
4.7
|
3.2
|
1.0
|
SG
|
B:CYS260
|
4.7
|
3.4
|
1.0
|
SG
|
B:CYS263
|
4.7
|
3.6
|
1.0
|
CH2
|
B:TRP167
|
4.7
|
3.7
|
1.0
|
CB
|
B:THR199
|
4.8
|
3.2
|
1.0
|
HG21
|
B:THR264
|
4.8
|
3.6
|
1.0
|
HA
|
B:CYS242
|
4.8
|
3.2
|
1.0
|
CG2
|
B:THR264
|
4.9
|
3.6
|
1.0
|
HG21
|
B:THR238
|
4.9
|
3.5
|
1.0
|
CE2
|
B:TRP247
|
5.0
|
3.6
|
1.0
|
CD1
|
B:TRP247
|
5.0
|
3.6
|
1.0
|
HZ1
|
B:LYS253
|
5.0
|
2.8
|
1.0
|
HD1
|
B:TRP247
|
5.0
|
3.6
|
1.0
|
|
Iron binding site 7 out
of 20 in 8dqv
Go back to
Iron Binding Sites List in 8dqv
Iron binding site 7 out
of 20 in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe403
b:7.1
occ:1.00
|
FE4
|
B:F3S403
|
0.0
|
7.1
|
1.0
|
S4
|
B:F3S403
|
2.3
|
7.1
|
1.0
|
S2
|
B:F3S403
|
2.3
|
7.1
|
1.0
|
SG
|
B:CYS263
|
2.3
|
3.6
|
1.0
|
S3
|
B:F3S403
|
2.3
|
7.1
|
1.0
|
FE3
|
B:F3S403
|
2.7
|
7.1
|
1.0
|
FE1
|
B:F3S403
|
2.7
|
7.1
|
1.0
|
HZ3
|
B:LYS253
|
2.8
|
2.8
|
1.0
|
H
|
B:CYS263
|
2.9
|
3.6
|
1.0
|
HB3
|
B:CYS263
|
3.0
|
3.6
|
1.0
|
CB
|
B:CYS263
|
3.2
|
3.6
|
1.0
|
HG23
|
B:THR264
|
3.5
|
3.6
|
1.0
|
N
|
B:CYS263
|
3.6
|
3.6
|
1.0
|
NZ
|
B:LYS253
|
3.6
|
2.8
|
1.0
|
CA
|
B:CYS263
|
3.8
|
3.6
|
1.0
|
H
|
B:THR264
|
3.8
|
3.6
|
1.0
|
S1
|
B:F3S403
|
3.8
|
7.1
|
1.0
|
HZ2
|
B:LYS253
|
3.9
|
2.8
|
1.0
|
HZ1
|
B:LYS253
|
3.9
|
2.8
|
1.0
|
HB2
|
B:CYS263
|
4.0
|
3.6
|
1.0
|
O
|
B:HOH554
|
4.1
|
3.3
|
1.0
|
C
|
B:CYS263
|
4.2
|
3.6
|
1.0
|
N
|
B:THR264
|
4.2
|
3.6
|
1.0
|
HD2
|
B:LYS253
|
4.4
|
2.8
|
1.0
|
H
|
B:CYS161
|
4.4
|
3.2
|
1.0
|
HA2
|
B:GLY160
|
4.4
|
3.3
|
1.0
|
HH2
|
B:TRP167
|
4.4
|
3.7
|
1.0
|
CG2
|
B:THR264
|
4.4
|
3.6
|
1.0
|
H
|
B:LEU261
|
4.6
|
3.5
|
1.0
|
HG21
|
B:THR238
|
4.6
|
3.5
|
1.0
|
SG
|
B:CYS242
|
4.6
|
3.2
|
1.0
|
H
|
B:GLY262
|
4.6
|
3.5
|
1.0
|
HE2
|
B:LYS253
|
4.6
|
2.8
|
1.0
|
CE
|
B:LYS253
|
4.7
|
2.8
|
1.0
|
HG22
|
B:THR264
|
4.7
|
3.6
|
1.0
|
HA
|
B:CYS263
|
4.7
|
3.6
|
1.0
|
SG
|
B:CYS260
|
4.7
|
3.4
|
1.0
|
C
|
B:GLY262
|
4.8
|
3.5
|
1.0
|
HG21
|
B:THR264
|
4.8
|
3.6
|
1.0
|
HB2
|
B:LEU261
|
4.9
|
3.5
|
1.0
|
N
|
B:GLY262
|
4.9
|
3.5
|
1.0
|
O
|
B:CYS263
|
4.9
|
3.6
|
1.0
|
HE22
|
A:GLN163
|
4.9
|
3.9
|
1.0
|
HZ2
|
B:TRP247
|
5.0
|
3.6
|
1.0
|
|
Iron binding site 8 out
of 20 in 8dqv
Go back to
Iron Binding Sites List in 8dqv
Iron binding site 8 out
of 20 in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe404
b:7.1
occ:1.00
|
FE1
|
B:F3S404
|
0.0
|
7.1
|
1.0
|
S1
|
B:F3S404
|
2.2
|
7.1
|
1.0
|
S2
|
B:F3S404
|
2.3
|
7.1
|
1.0
|
S3
|
B:F3S404
|
2.3
|
7.1
|
1.0
|
SG
|
B:CYS226
|
2.3
|
4.2
|
1.0
|
FE4
|
B:F3S404
|
2.7
|
7.1
|
1.0
|
FE3
|
B:F3S404
|
2.7
|
7.1
|
1.0
|
H
|
B:LEU227
|
3.1
|
3.8
|
1.0
|
HB2
|
B:CYS226
|
3.2
|
4.2
|
1.0
|
HB2
|
B:PHE209
|
3.2
|
5.0
|
1.0
|
CB
|
B:CYS226
|
3.3
|
4.2
|
1.0
|
HE21
|
B:GLN200
|
3.5
|
3.5
|
1.0
|
H
|
B:PHE228
|
3.5
|
5.3
|
1.0
|
HB2
|
B:ARG205
|
3.6
|
3.3
|
1.0
|
HB2
|
B:PHE228
|
3.6
|
5.3
|
1.0
|
HA
|
B:CYS226
|
3.7
|
4.2
|
1.0
|
HD1
|
B:PHE209
|
3.7
|
5.0
|
1.0
|
N
|
B:LEU227
|
3.8
|
3.8
|
1.0
|
CA
|
B:CYS226
|
3.9
|
4.2
|
1.0
|
S4
|
B:F3S404
|
3.9
|
7.1
|
1.0
|
N
|
B:PHE228
|
4.1
|
5.3
|
1.0
|
HB3
|
B:CYS226
|
4.1
|
4.2
|
1.0
|
CB
|
B:PHE209
|
4.1
|
5.0
|
1.0
|
HB3
|
B:ARG205
|
4.2
|
3.3
|
1.0
|
C
|
B:CYS226
|
4.2
|
4.2
|
1.0
|
NE2
|
B:GLN200
|
4.3
|
3.5
|
1.0
|
CD1
|
B:PHE209
|
4.3
|
5.0
|
1.0
|
HB3
|
B:CYS233
|
4.3
|
4.1
|
1.0
|
CB
|
B:ARG205
|
4.3
|
3.3
|
1.0
|
HG3
|
B:GLN200
|
4.3
|
3.5
|
1.0
|
HB2
|
B:LEU227
|
4.4
|
3.8
|
1.0
|
CB
|
B:PHE228
|
4.4
|
5.3
|
1.0
|
O
|
B:ARG205
|
4.5
|
3.3
|
1.0
|
HD2
|
B:ARG205
|
4.5
|
3.3
|
1.0
|
HB3
|
B:PHE209
|
4.5
|
5.0
|
1.0
|
HA
|
B:VAL206
|
4.6
|
3.5
|
1.0
|
CG
|
B:PHE209
|
4.6
|
5.0
|
1.0
|
HE22
|
B:GLN200
|
4.6
|
3.5
|
1.0
|
HD3
|
B:PRO236
|
4.7
|
4.1
|
1.0
|
HB3
|
B:PHE228
|
4.7
|
5.3
|
1.0
|
H7K1
|
B:VK3401
|
4.7
|
6.6
|
1.0
|
C
|
B:ARG205
|
4.7
|
3.3
|
1.0
|
CA
|
B:LEU227
|
4.7
|
3.8
|
1.0
|
SG
|
B:CYS203
|
4.8
|
2.9
|
1.0
|
SG
|
B:CYS233
|
4.8
|
4.1
|
1.0
|
CA
|
B:PHE228
|
4.8
|
5.3
|
1.0
|
HG3
|
B:PRO236
|
4.8
|
4.1
|
1.0
|
C
|
B:LEU227
|
4.8
|
3.8
|
1.0
|
CB
|
B:CYS233
|
4.9
|
4.1
|
1.0
|
H
|
B:PHE209
|
4.9
|
5.0
|
1.0
|
HA
|
B:PHE228
|
5.0
|
5.3
|
1.0
|
HD3
|
B:ARG205
|
5.0
|
3.3
|
1.0
|
|
Iron binding site 9 out
of 20 in 8dqv
Go back to
Iron Binding Sites List in 8dqv
Iron binding site 9 out
of 20 in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe404
b:7.1
occ:1.00
|
FE3
|
B:F3S404
|
0.0
|
7.1
|
1.0
|
S1
|
B:F3S404
|
2.2
|
7.1
|
1.0
|
S4
|
B:F3S404
|
2.3
|
7.1
|
1.0
|
S3
|
B:F3S404
|
2.3
|
7.1
|
1.0
|
SG
|
B:CYS233
|
2.3
|
4.1
|
1.0
|
FE4
|
B:F3S404
|
2.7
|
7.1
|
1.0
|
FE1
|
B:F3S404
|
2.7
|
7.1
|
1.0
|
HB3
|
B:CYS233
|
3.0
|
4.1
|
1.0
|
CB
|
B:CYS233
|
3.2
|
4.1
|
1.0
|
HG21
|
B:THR254
|
3.3
|
3.1
|
1.0
|
HD3
|
B:PRO236
|
3.5
|
4.1
|
1.0
|
HA3
|
B:GLY235
|
3.5
|
3.3
|
1.0
|
H
|
B:GLY235
|
3.5
|
3.3
|
1.0
|
HB2
|
B:CYS233
|
3.6
|
4.1
|
1.0
|
HB
|
B:THR254
|
3.7
|
3.1
|
1.0
|
HB2
|
B:LEU227
|
3.8
|
3.8
|
1.0
|
S2
|
B:F3S404
|
3.9
|
7.1
|
1.0
|
CG2
|
B:THR254
|
4.0
|
3.1
|
1.0
|
HG22
|
B:THR254
|
4.0
|
3.1
|
1.0
|
H
|
B:LEU227
|
4.1
|
3.8
|
1.0
|
H
|
B:CYS260
|
4.2
|
3.4
|
1.0
|
N
|
B:GLY235
|
4.2
|
3.3
|
1.0
|
HD12
|
B:LEU227
|
4.3
|
3.8
|
1.0
|
CA
|
B:GLY235
|
4.3
|
3.3
|
1.0
|
CB
|
B:THR254
|
4.3
|
3.1
|
1.0
|
CD
|
B:PRO236
|
4.4
|
4.1
|
1.0
|
HB2
|
B:PHE228
|
4.4
|
5.3
|
1.0
|
HB3
|
B:CYS260
|
4.5
|
3.4
|
1.0
|
CA
|
B:CYS233
|
4.5
|
4.1
|
1.0
|
H
|
B:PHE228
|
4.6
|
5.3
|
1.0
|
HE21
|
B:GLN200
|
4.6
|
3.5
|
1.0
|
SG
|
B:CYS226
|
4.6
|
4.2
|
1.0
|
HB2
|
B:GLN200
|
4.7
|
3.5
|
1.0
|
HG3
|
B:GLN200
|
4.7
|
3.5
|
1.0
|
CB
|
B:LEU227
|
4.7
|
3.8
|
1.0
|
N
|
B:PHE228
|
4.7
|
5.3
|
1.0
|
C
|
B:CYS233
|
4.7
|
4.1
|
1.0
|
HG1
|
B:THR254
|
4.7
|
3.1
|
1.0
|
SG
|
B:CYS203
|
4.7
|
2.9
|
1.0
|
HA
|
B:PHE228
|
4.8
|
5.3
|
1.0
|
N
|
B:LEU227
|
4.8
|
3.8
|
1.0
|
HG22
|
B:THR199
|
4.8
|
3.2
|
1.0
|
HA
|
B:GLN200
|
4.8
|
3.5
|
1.0
|
HG3
|
B:PRO236
|
4.8
|
4.1
|
1.0
|
HA
|
B:PRO259
|
4.8
|
3.3
|
1.0
|
HG23
|
B:THR254
|
4.8
|
3.1
|
1.0
|
HD2
|
B:PRO236
|
4.8
|
4.1
|
1.0
|
HA
|
B:CYS233
|
4.9
|
4.1
|
1.0
|
HB2
|
B:CYS260
|
4.9
|
3.4
|
1.0
|
HA2
|
B:GLY235
|
4.9
|
3.3
|
1.0
|
HD1
|
B:PHE228
|
4.9
|
5.3
|
1.0
|
O
|
B:CYS233
|
5.0
|
4.1
|
1.0
|
HD2
|
B:ARG205
|
5.0
|
3.3
|
1.0
|
|
Iron binding site 10 out
of 20 in 8dqv
Go back to
Iron Binding Sites List in 8dqv
Iron binding site 10 out
of 20 in the The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of The 1.52 Angstrom Cryoem Structure of the [Nife]-Hydrogenase Huc From Mycobacterium Smegmatis - Catalytic Dimer (HUC2S2L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe404
b:7.1
occ:1.00
|
FE4
|
B:F3S404
|
0.0
|
7.1
|
1.0
|
S4
|
B:F3S404
|
2.3
|
7.1
|
1.0
|
S2
|
B:F3S404
|
2.3
|
7.1
|
1.0
|
SG
|
B:CYS203
|
2.3
|
2.9
|
1.0
|
S3
|
B:F3S404
|
2.3
|
7.1
|
1.0
|
FE3
|
B:F3S404
|
2.7
|
7.1
|
1.0
|
FE1
|
B:F3S404
|
2.7
|
7.1
|
1.0
|
HB3
|
B:CYS203
|
3.0
|
2.9
|
1.0
|
CB
|
B:CYS203
|
3.1
|
2.9
|
1.0
|
HB2
|
B:ARG205
|
3.1
|
3.3
|
1.0
|
HB
|
B:THR254
|
3.2
|
3.1
|
1.0
|
HB2
|
B:CYS203
|
3.2
|
2.9
|
1.0
|
HG1
|
B:THR254
|
3.5
|
3.1
|
1.0
|
HG3
|
B:GLN200
|
3.5
|
3.5
|
1.0
|
HA
|
B:GLN200
|
3.7
|
3.5
|
1.0
|
S1
|
B:F3S404
|
3.8
|
7.1
|
1.0
|
HG21
|
B:THR254
|
3.8
|
3.1
|
1.0
|
HD2
|
B:ARG205
|
3.9
|
3.3
|
1.0
|
H
|
B:ARG205
|
3.9
|
3.3
|
1.0
|
CB
|
B:THR254
|
3.9
|
3.1
|
1.0
|
HG22
|
B:VAL206
|
4.0
|
3.5
|
1.0
|
CB
|
B:ARG205
|
4.0
|
3.3
|
1.0
|
OG1
|
B:THR254
|
4.0
|
3.1
|
1.0
|
HE21
|
B:GLN200
|
4.1
|
3.5
|
1.0
|
CG2
|
B:THR254
|
4.4
|
3.1
|
1.0
|
CG
|
B:GLN200
|
4.4
|
3.5
|
1.0
|
HB3
|
B:ARG205
|
4.5
|
3.3
|
1.0
|
CA
|
B:CYS203
|
4.5
|
2.9
|
1.0
|
HG23
|
B:VAL206
|
4.6
|
3.5
|
1.0
|
CA
|
B:GLN200
|
4.6
|
3.5
|
1.0
|
HB2
|
B:GLN200
|
4.6
|
3.5
|
1.0
|
C
|
B:ARG205
|
4.6
|
3.3
|
1.0
|
N
|
B:ARG205
|
4.6
|
3.3
|
1.0
|
CA
|
B:ARG205
|
4.6
|
3.3
|
1.0
|
H
|
B:LEU227
|
4.6
|
3.8
|
1.0
|
N
|
B:VAL206
|
4.7
|
3.5
|
1.0
|
CD
|
B:ARG205
|
4.7
|
3.3
|
1.0
|
HA
|
B:VAL206
|
4.7
|
3.5
|
1.0
|
SG
|
B:CYS233
|
4.7
|
4.1
|
1.0
|
H
|
B:VAL206
|
4.7
|
3.5
|
1.0
|
CG2
|
B:VAL206
|
4.8
|
3.5
|
1.0
|
HG3
|
B:ARG205
|
4.8
|
3.3
|
1.0
|
CG
|
B:ARG205
|
4.8
|
3.3
|
1.0
|
CB
|
B:GLN200
|
4.8
|
3.5
|
1.0
|
HA3
|
B:GLY235
|
4.8
|
3.3
|
1.0
|
HG22
|
B:THR254
|
4.8
|
3.1
|
1.0
|
HA
|
B:CYS203
|
4.9
|
2.9
|
1.0
|
NE2
|
B:GLN200
|
4.9
|
3.5
|
1.0
|
HD12
|
B:LEU227
|
4.9
|
3.8
|
1.0
|
SG
|
B:CYS226
|
4.9
|
4.2
|
1.0
|
HG2
|
B:GLN200
|
5.0
|
3.5
|
1.0
|
C
|
B:CYS203
|
5.0
|
2.9
|
1.0
|
HD21
|
B:ASN243
|
5.0
|
2.9
|
1.0
|
|
Reference:
R.Grinter,
A.Kropp,
H.Venugopal,
M.Senger,
J.Badley,
P.Cabotaje,
S.T.Stripp,
C.K.Barlow,
M.Belousoff,
G.M.Cook,
R.B.Schittenhelm,
S.Khalid,
G.Berggren,
G.Greening.
Energy Extraction From Air: Structural Basis of Atmospheric Hydrogen Oxidation To Be Published.
Page generated: Sat Aug 10 00:15:28 2024
|