Iron in PDB 7o1t: Fe(Co)2CNCL Species Bound [Hyde From T. Maritima
Protein crystallography data
The structure of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima, PDB code: 7o1t
was solved by
R.Rohac,
L.Martin,
L.Liu,
D.Basu,
L.Tao,
R.D.Britt,
T.Rauchfuss,
Y.Nicolet,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
9.93 /
1.50
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
63.54,
82.83,
70.4,
90,
90,
90
|
R / Rfree (%)
|
16.7 /
19.5
|
Other elements in 7o1t:
The structure of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima
(pdb code 7o1t). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the
Fe(Co)2CNCL Species Bound [Hyde From T. Maritima, PDB code: 7o1t:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 7o1t
Go back to
Iron Binding Sites List in 7o1t
Iron binding site 1 out
of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe402
b:14.8
occ:0.63
|
C
|
A:CYN405
|
1.7
|
16.0
|
0.7
|
C
|
A:CMO403
|
1.8
|
15.3
|
0.7
|
C
|
A:CMO404
|
1.8
|
18.1
|
0.9
|
N
|
A:CYS401
|
2.0
|
17.8
|
0.8
|
OXT
|
A:CYS401
|
2.1
|
18.7
|
0.8
|
SG
|
A:CYS401
|
2.3
|
15.9
|
0.8
|
CA
|
A:CYS401
|
2.7
|
15.7
|
0.8
|
C
|
A:CYS401
|
2.8
|
19.3
|
0.8
|
N
|
A:CYN405
|
2.9
|
15.5
|
0.7
|
O
|
A:CMO403
|
3.0
|
15.7
|
0.7
|
O
|
A:CMO404
|
3.0
|
20.5
|
0.9
|
CB
|
A:CYS401
|
3.1
|
17.0
|
0.8
|
O
|
A:CYS401
|
4.0
|
21.1
|
0.8
|
OG1
|
A:THR269
|
4.4
|
22.8
|
1.0
|
O
|
A:HOH585
|
4.6
|
19.6
|
1.0
|
NH2
|
A:ARG159
|
4.6
|
24.9
|
1.0
|
SD
|
A:MET291
|
4.6
|
24.7
|
0.6
|
CD1
|
A:ILE56
|
4.7
|
12.5
|
0.7
|
CG2
|
A:THR268
|
4.7
|
14.2
|
1.0
|
CB
|
A:THR268
|
4.8
|
17.0
|
1.0
|
NE2
|
A:GLN107
|
4.8
|
16.2
|
1.0
|
SD
|
A:MET291
|
4.9
|
16.2
|
0.4
|
N
|
A:THR269
|
4.9
|
13.7
|
1.0
|
CE
|
A:MET291
|
5.0
|
43.4
|
0.4
|
CE
|
A:MET291
|
5.0
|
21.3
|
0.6
|
|
Iron binding site 2 out
of 6 in 7o1t
Go back to
Iron Binding Sites List in 7o1t
Iron binding site 2 out
of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe409
b:16.8
occ:1.00
|
FE1
|
A:SF4409
|
0.0
|
16.8
|
1.0
|
SG
|
A:CYS70
|
2.3
|
15.4
|
1.0
|
S3
|
A:SF4409
|
2.3
|
15.8
|
1.0
|
S4
|
A:SF4409
|
2.3
|
16.3
|
1.0
|
S2
|
A:SF4409
|
2.3
|
15.7
|
1.0
|
FE3
|
A:SF4409
|
2.7
|
17.3
|
1.0
|
FE2
|
A:SF4409
|
2.7
|
17.2
|
1.0
|
FE4
|
A:SF4409
|
2.8
|
16.8
|
1.0
|
CB
|
A:CYS70
|
3.0
|
15.8
|
1.0
|
S1
|
A:SF4409
|
3.8
|
16.1
|
1.0
|
CB
|
A:LEU72
|
4.2
|
12.2
|
1.0
|
CA
|
A:CYS70
|
4.5
|
13.1
|
1.0
|
SG
|
A:5X8407
|
4.6
|
19.6
|
1.0
|
CD2
|
A:LEU305
|
4.7
|
20.9
|
1.0
|
SG
|
A:CYS67
|
4.7
|
16.6
|
1.0
|
N
|
A:ARG73
|
4.8
|
14.6
|
1.0
|
N
|
A:5X8407
|
4.8
|
17.1
|
1.0
|
CB
|
A:CYS67
|
4.8
|
16.2
|
1.0
|
N
|
A:LEU72
|
4.8
|
12.7
|
1.0
|
CG
|
A:LEU72
|
4.8
|
18.4
|
1.0
|
C
|
A:LEU72
|
4.8
|
19.2
|
1.0
|
SG
|
A:CYS63
|
4.8
|
14.4
|
1.0
|
OXT
|
A:5X8407
|
4.8
|
16.9
|
1.0
|
CA
|
A:LEU72
|
4.8
|
14.7
|
1.0
|
C8
|
A:5X8407
|
4.9
|
18.9
|
1.0
|
|
Iron binding site 3 out
of 6 in 7o1t
Go back to
Iron Binding Sites List in 7o1t
Iron binding site 3 out
of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe409
b:17.2
occ:1.00
|
FE2
|
A:SF4409
|
0.0
|
17.2
|
1.0
|
SG
|
A:CYS63
|
2.2
|
14.4
|
1.0
|
S3
|
A:SF4409
|
2.3
|
15.8
|
1.0
|
S4
|
A:SF4409
|
2.3
|
16.3
|
1.0
|
S1
|
A:SF4409
|
2.3
|
16.1
|
1.0
|
FE1
|
A:SF4409
|
2.7
|
16.8
|
1.0
|
FE3
|
A:SF4409
|
2.7
|
17.3
|
1.0
|
FE4
|
A:SF4409
|
2.8
|
16.8
|
1.0
|
CB
|
A:CYS63
|
3.3
|
14.5
|
1.0
|
S2
|
A:SF4409
|
3.9
|
15.7
|
1.0
|
N
|
A:5X8407
|
4.1
|
17.1
|
1.0
|
CB
|
A:LYS65
|
4.3
|
14.3
|
1.0
|
N
|
A:GLU110
|
4.5
|
14.5
|
1.0
|
CA
|
A:GLY109
|
4.6
|
15.2
|
1.0
|
CA
|
A:CYS63
|
4.7
|
14.6
|
1.0
|
SG
|
A:CYS67
|
4.8
|
16.6
|
1.0
|
SG
|
A:CYS70
|
4.8
|
15.4
|
1.0
|
O
|
A:LYS65
|
4.8
|
17.0
|
1.0
|
OXT
|
A:5X8407
|
4.8
|
16.9
|
1.0
|
N
|
A:LYS65
|
4.9
|
17.6
|
1.0
|
CB
|
A:LEU72
|
4.9
|
12.2
|
1.0
|
C
|
A:LYS65
|
4.9
|
15.1
|
1.0
|
CA
|
A:LYS65
|
4.9
|
13.6
|
1.0
|
|
Iron binding site 4 out
of 6 in 7o1t
Go back to
Iron Binding Sites List in 7o1t
Iron binding site 4 out
of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe409
b:17.3
occ:1.00
|
FE3
|
A:SF4409
|
0.0
|
17.3
|
1.0
|
S1
|
A:SF4409
|
2.3
|
16.1
|
1.0
|
SG
|
A:CYS67
|
2.3
|
16.6
|
1.0
|
S4
|
A:SF4409
|
2.3
|
16.3
|
1.0
|
S2
|
A:SF4409
|
2.3
|
15.7
|
1.0
|
FE1
|
A:SF4409
|
2.7
|
16.8
|
1.0
|
FE2
|
A:SF4409
|
2.7
|
17.2
|
1.0
|
FE4
|
A:SF4409
|
2.9
|
16.8
|
1.0
|
CB
|
A:CYS67
|
3.2
|
16.2
|
1.0
|
S3
|
A:SF4409
|
3.9
|
15.8
|
1.0
|
O
|
A:HOH607
|
3.9
|
19.2
|
1.0
|
OXT
|
A:5X8407
|
4.1
|
16.9
|
1.0
|
N
|
A:CYS67
|
4.2
|
17.2
|
1.0
|
CA
|
A:CYS67
|
4.4
|
15.0
|
1.0
|
CB
|
A:CYS70
|
4.4
|
15.8
|
1.0
|
CB
|
A:LYS65
|
4.5
|
14.3
|
1.0
|
NH2
|
A:ARG172
|
4.5
|
16.4
|
1.0
|
OH
|
A:TYR69
|
4.6
|
19.1
|
1.0
|
SG
|
A:CYS70
|
4.6
|
15.4
|
1.0
|
SG
|
A:CYS63
|
4.7
|
14.4
|
1.0
|
CE1
|
A:TYR69
|
4.8
|
15.5
|
1.0
|
O
|
A:HOH642
|
4.9
|
18.0
|
1.0
|
CZ
|
A:TYR69
|
5.0
|
15.7
|
1.0
|
N
|
A:5X8407
|
5.0
|
17.1
|
1.0
|
|
Iron binding site 5 out
of 6 in 7o1t
Go back to
Iron Binding Sites List in 7o1t
Iron binding site 5 out
of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe409
b:16.8
occ:1.00
|
FE4
|
A:SF4409
|
0.0
|
16.8
|
1.0
|
OXT
|
A:5X8407
|
2.2
|
16.9
|
1.0
|
N
|
A:5X8407
|
2.3
|
17.1
|
1.0
|
S2
|
A:SF4409
|
2.3
|
15.7
|
1.0
|
S1
|
A:SF4409
|
2.3
|
16.1
|
1.0
|
S3
|
A:SF4409
|
2.3
|
15.8
|
1.0
|
FE2
|
A:SF4409
|
2.8
|
17.2
|
1.0
|
FE1
|
A:SF4409
|
2.8
|
16.8
|
1.0
|
FE3
|
A:SF4409
|
2.9
|
17.3
|
1.0
|
C
|
A:5X8407
|
3.0
|
16.8
|
1.0
|
CA
|
A:5X8407
|
3.1
|
17.9
|
1.0
|
SG
|
A:5X8407
|
3.2
|
19.6
|
1.0
|
CB
|
A:5X8407
|
3.8
|
19.3
|
1.0
|
S4
|
A:SF4409
|
4.0
|
16.3
|
1.0
|
O
|
A:HOH607
|
4.1
|
19.2
|
1.0
|
O
|
A:HOH642
|
4.2
|
18.0
|
1.0
|
O
|
A:5X8407
|
4.2
|
16.6
|
1.0
|
SG
|
A:CYS63
|
4.7
|
14.4
|
1.0
|
SG
|
A:CYS70
|
4.9
|
15.4
|
1.0
|
C5'
|
A:5X8407
|
4.9
|
19.5
|
1.0
|
SG
|
A:CYS67
|
5.0
|
16.6
|
1.0
|
|
Iron binding site 6 out
of 6 in 7o1t
Go back to
Iron Binding Sites List in 7o1t
Iron binding site 6 out
of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe411
b:16.2
occ:0.33
|
C
|
A:CYN414
|
1.7
|
17.0
|
0.3
|
C
|
A:CMO413
|
1.8
|
15.8
|
0.3
|
C
|
A:CMO412
|
1.8
|
15.4
|
0.5
|
I
|
A:IOD415
|
1.8
|
33.3
|
0.1
|
CL
|
A:CL410
|
2.4
|
19.9
|
0.3
|
SD
|
A:MET224
|
2.4
|
18.7
|
0.5
|
I
|
A:IOD415
|
2.8
|
19.8
|
0.4
|
N
|
A:CYN414
|
2.9
|
17.9
|
0.3
|
O
|
A:CMO413
|
3.0
|
16.7
|
0.3
|
O
|
A:CMO412
|
3.1
|
14.9
|
0.5
|
CE
|
A:MET224
|
3.2
|
26.1
|
0.5
|
CE
|
A:MET224
|
3.5
|
15.1
|
0.5
|
CG
|
A:MET224
|
3.5
|
17.1
|
0.5
|
CG
|
A:MET224
|
3.5
|
20.6
|
0.5
|
CB
|
A:MET224
|
3.6
|
11.9
|
0.5
|
CB
|
A:MET224
|
4.0
|
34.8
|
0.5
|
SD
|
A:MET224
|
4.1
|
21.1
|
0.5
|
SD
|
A:MET291
|
4.6
|
24.7
|
0.6
|
CE
|
A:MET291
|
4.6
|
43.4
|
0.4
|
CE
|
A:MET291
|
4.8
|
21.3
|
0.6
|
NE
|
A:ARG54
|
4.9
|
18.2
|
1.0
|
|
Reference:
Y.Nicolet,
J.K.Rubach,
M.C.Posewitz,
P.Amara,
C.Mathevon,
M.Atta,
M.Fontecave,
J.C.Fontecilla-Camps.
X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima* Journal of Biological V. 283 18861 2008CHEMISTRY.
DOI: 10.1074/JBC.M801161200
Page generated: Thu Aug 8 10:16:03 2024
|