Iron in PDB 8qbq: Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
Protein crystallography data
The structure of Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys), PDB code: 8qbq
was solved by
B.W.Nash,
C.J.Lockwood,
K.Whiting,
J.N.Butt,
T.A.Clarke,
M.J.Edwards,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
44.80 /
1.81
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
52.904,
89.609,
154.031,
90,
90,
90
|
|
R / Rfree (%)
|
15.5 /
18.7
|
Other elements in 8qbq:
The structure of Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
(pdb code 8qbq). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the
Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys), PDB code: 8qbq:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 10 in 8qbq
Go back to
Iron Binding Sites List in 8qbq
Iron binding site 1 out
of 10 in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
 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 the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe720
b:12.9
occ:1.00
|
FE
|
A:HEC720
|
0.0
|
12.9
|
1.0
|
|
NB
|
A:HEC720
|
2.0
|
10.9
|
1.0
|
|
NE2
|
A:HIS233
|
2.0
|
12.2
|
1.0
|
|
NA
|
A:HEC720
|
2.0
|
14.8
|
1.0
|
|
NC
|
A:HEC720
|
2.1
|
12.3
|
1.0
|
|
ND
|
A:HEC720
|
2.1
|
12.3
|
1.0
|
|
NE2
|
A:HIS190
|
2.2
|
14.3
|
1.0
|
|
CE1
|
A:HIS233
|
3.0
|
10.7
|
1.0
|
|
C1B
|
A:HEC720
|
3.0
|
11.4
|
1.0
|
|
C4A
|
A:HEC720
|
3.0
|
12.7
|
1.0
|
|
CD2
|
A:HIS233
|
3.0
|
10.6
|
1.0
|
|
C4B
|
A:HEC720
|
3.0
|
11.6
|
1.0
|
|
C1A
|
A:HEC720
|
3.0
|
11.7
|
1.0
|
|
C1D
|
A:HEC720
|
3.1
|
15.1
|
1.0
|
|
C1C
|
A:HEC720
|
3.1
|
12.2
|
1.0
|
|
C4C
|
A:HEC720
|
3.1
|
13.8
|
1.0
|
|
C4D
|
A:HEC720
|
3.1
|
14.7
|
1.0
|
|
CE1
|
A:HIS190
|
3.1
|
13.6
|
1.0
|
|
CD2
|
A:HIS190
|
3.2
|
11.4
|
1.0
|
|
CHB
|
A:HEC720
|
3.4
|
12.3
|
1.0
|
|
CHD
|
A:HEC720
|
3.4
|
13.6
|
1.0
|
|
CHA
|
A:HEC720
|
3.5
|
12.9
|
1.0
|
|
CHC
|
A:HEC720
|
3.5
|
12.9
|
1.0
|
|
ND1
|
A:HIS233
|
4.1
|
10.9
|
1.0
|
|
CG
|
A:HIS233
|
4.2
|
11.7
|
1.0
|
|
C2B
|
A:HEC720
|
4.2
|
11.3
|
1.0
|
|
C3A
|
A:HEC720
|
4.3
|
11.7
|
1.0
|
|
C3B
|
A:HEC720
|
4.3
|
11.6
|
1.0
|
|
ND1
|
A:HIS190
|
4.3
|
13.8
|
1.0
|
|
C2A
|
A:HEC720
|
4.3
|
13.7
|
1.0
|
|
C2C
|
A:HEC720
|
4.3
|
13.4
|
1.0
|
|
CG
|
A:HIS190
|
4.3
|
15.2
|
1.0
|
|
C2D
|
A:HEC720
|
4.3
|
12.6
|
1.0
|
|
C3C
|
A:HEC720
|
4.3
|
12.6
|
1.0
|
|
C3D
|
A:HEC720
|
4.3
|
13.6
|
1.0
|
|
Iron binding site 2 out
of 10 in 8qbq
Go back to
Iron Binding Sites List in 8qbq
Iron binding site 2 out
of 10 in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
 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 the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe721
b:13.0
occ:1.00
|
FE
|
A:HEC721
|
0.0
|
13.0
|
1.0
|
|
NC
|
A:HEC721
|
2.0
|
13.2
|
1.0
|
|
NA
|
A:HEC721
|
2.0
|
12.0
|
1.0
|
|
NE2
|
A:HIS210
|
2.0
|
10.9
|
1.0
|
|
NB
|
A:HEC721
|
2.0
|
11.4
|
1.0
|
|
ND
|
A:HEC721
|
2.1
|
9.2
|
1.0
|
|
NE2
|
A:HIS198
|
2.2
|
12.5
|
1.0
|
|
CE1
|
A:HIS210
|
3.0
|
12.4
|
1.0
|
|
C1C
|
A:HEC721
|
3.0
|
10.4
|
1.0
|
|
C4B
|
A:HEC721
|
3.0
|
11.9
|
1.0
|
|
C4A
|
A:HEC721
|
3.1
|
12.4
|
1.0
|
|
C1B
|
A:HEC721
|
3.1
|
12.0
|
1.0
|
|
CD2
|
A:HIS210
|
3.1
|
12.1
|
1.0
|
|
C1A
|
A:HEC721
|
3.1
|
11.7
|
1.0
|
|
C4C
|
A:HEC721
|
3.1
|
12.7
|
1.0
|
|
C1D
|
A:HEC721
|
3.1
|
10.5
|
1.0
|
|
C4D
|
A:HEC721
|
3.1
|
14.5
|
1.0
|
|
CE1
|
A:HIS198
|
3.1
|
17.1
|
1.0
|
|
CD2
|
A:HIS198
|
3.3
|
13.3
|
1.0
|
|
CHC
|
A:HEC721
|
3.4
|
10.8
|
1.0
|
|
CHB
|
A:HEC721
|
3.4
|
10.6
|
1.0
|
|
CHD
|
A:HEC721
|
3.4
|
11.8
|
1.0
|
|
CHA
|
A:HEC721
|
3.4
|
14.8
|
1.0
|
|
ND1
|
A:HIS210
|
4.1
|
11.3
|
1.0
|
|
CG
|
A:HIS210
|
4.2
|
10.9
|
1.0
|
|
C2C
|
A:HEC721
|
4.3
|
10.5
|
1.0
|
|
ND1
|
A:HIS198
|
4.3
|
14.8
|
1.0
|
|
C3B
|
A:HEC721
|
4.3
|
10.1
|
1.0
|
|
C3A
|
A:HEC721
|
4.3
|
12.6
|
1.0
|
|
C2A
|
A:HEC721
|
4.3
|
11.4
|
1.0
|
|
C2B
|
A:HEC721
|
4.3
|
12.8
|
1.0
|
|
C3C
|
A:HEC721
|
4.3
|
13.0
|
1.0
|
|
C3D
|
A:HEC721
|
4.3
|
13.4
|
1.0
|
|
C2D
|
A:HEC721
|
4.3
|
12.0
|
1.0
|
|
CG
|
A:HIS198
|
4.4
|
14.5
|
1.0
|
|
CG
|
A:GLN199
|
4.9
|
14.9
|
1.0
|
|
Iron binding site 3 out
of 10 in 8qbq
Go back to
Iron Binding Sites List in 8qbq
Iron binding site 3 out
of 10 in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
 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 the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe722
b:11.9
occ:1.00
|
FE
|
A:HEC722
|
0.0
|
11.9
|
1.0
|
|
NE2
|
A:HIS261
|
2.0
|
10.6
|
1.0
|
|
NB
|
A:HEC722
|
2.0
|
11.6
|
1.0
|
|
NC
|
A:HEC722
|
2.0
|
11.8
|
1.0
|
|
ND
|
A:HEC722
|
2.1
|
10.6
|
1.0
|
|
NA
|
A:HEC722
|
2.1
|
10.7
|
1.0
|
|
NE2
|
A:HIS230
|
2.2
|
12.1
|
1.0
|
|
CE1
|
A:HIS261
|
3.0
|
11.8
|
1.0
|
|
CD2
|
A:HIS261
|
3.0
|
13.6
|
1.0
|
|
C4B
|
A:HEC722
|
3.0
|
11.1
|
1.0
|
|
C1C
|
A:HEC722
|
3.0
|
11.9
|
1.0
|
|
C1B
|
A:HEC722
|
3.1
|
10.7
|
1.0
|
|
C1D
|
A:HEC722
|
3.1
|
11.0
|
1.0
|
|
C4C
|
A:HEC722
|
3.1
|
11.6
|
1.0
|
|
C4A
|
A:HEC722
|
3.1
|
10.0
|
1.0
|
|
C4D
|
A:HEC722
|
3.1
|
11.0
|
1.0
|
|
CD2
|
A:HIS230
|
3.1
|
12.1
|
1.0
|
|
C1A
|
A:HEC722
|
3.1
|
9.9
|
1.0
|
|
CE1
|
A:HIS230
|
3.2
|
11.9
|
1.0
|
|
CHC
|
A:HEC722
|
3.4
|
10.6
|
1.0
|
|
CHB
|
A:HEC722
|
3.4
|
12.6
|
1.0
|
|
CHD
|
A:HEC722
|
3.4
|
11.2
|
1.0
|
|
CHA
|
A:HEC722
|
3.5
|
10.0
|
1.0
|
|
ND1
|
A:HIS261
|
4.1
|
12.4
|
1.0
|
|
CG
|
A:HIS261
|
4.2
|
11.2
|
1.0
|
|
CG
|
A:HIS230
|
4.2
|
10.8
|
1.0
|
|
ND1
|
A:HIS230
|
4.2
|
9.6
|
1.0
|
|
C2B
|
A:HEC722
|
4.3
|
12.1
|
1.0
|
|
C3B
|
A:HEC722
|
4.3
|
10.5
|
1.0
|
|
C2C
|
A:HEC722
|
4.3
|
11.5
|
1.0
|
|
C3C
|
A:HEC722
|
4.3
|
11.1
|
1.0
|
|
C2D
|
A:HEC722
|
4.3
|
10.2
|
1.0
|
|
C3D
|
A:HEC722
|
4.3
|
11.8
|
1.0
|
|
C3A
|
A:HEC722
|
4.3
|
11.3
|
1.0
|
|
C2A
|
A:HEC722
|
4.3
|
9.8
|
1.0
|
|
CB
|
A:TRP273
|
4.8
|
12.1
|
1.0
|
|
CG2
|
A:ILE229
|
4.9
|
9.8
|
1.0
|
|
Iron binding site 4 out
of 10 in 8qbq
Go back to
Iron Binding Sites List in 8qbq
Iron binding site 4 out
of 10 in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
 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 the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe723
b:14.8
occ:1.00
|
FE
|
A:HEC723
|
0.0
|
14.8
|
1.0
|
|
NE2
|
A:HIS286
|
2.0
|
15.3
|
1.0
|
|
NB
|
A:HEC723
|
2.0
|
14.3
|
1.0
|
|
NA
|
A:HEC723
|
2.0
|
14.9
|
1.0
|
|
NC
|
A:HEC723
|
2.1
|
12.9
|
1.0
|
|
ND
|
A:HEC723
|
2.1
|
13.9
|
1.0
|
|
NE2
|
A:HIS319
|
2.2
|
14.5
|
1.0
|
|
CE1
|
A:HIS286
|
2.9
|
17.8
|
1.0
|
|
C4B
|
A:HEC723
|
3.0
|
11.8
|
1.0
|
|
C1B
|
A:HEC723
|
3.1
|
14.1
|
1.0
|
|
C1C
|
A:HEC723
|
3.1
|
15.0
|
1.0
|
|
C4D
|
A:HEC723
|
3.1
|
17.1
|
1.0
|
|
C1A
|
A:HEC723
|
3.1
|
17.7
|
1.0
|
|
CD2
|
A:HIS286
|
3.1
|
16.8
|
1.0
|
|
C4A
|
A:HEC723
|
3.1
|
15.6
|
1.0
|
|
C1D
|
A:HEC723
|
3.1
|
14.8
|
1.0
|
|
C4C
|
A:HEC723
|
3.1
|
13.9
|
1.0
|
|
CE1
|
A:HIS319
|
3.1
|
15.3
|
1.0
|
|
CD2
|
A:HIS319
|
3.2
|
15.4
|
1.0
|
|
CHC
|
A:HEC723
|
3.4
|
12.4
|
1.0
|
|
CHA
|
A:HEC723
|
3.4
|
17.9
|
1.0
|
|
CHB
|
A:HEC723
|
3.5
|
14.6
|
1.0
|
|
CHD
|
A:HEC723
|
3.5
|
14.1
|
1.0
|
|
ND1
|
A:HIS286
|
4.1
|
15.4
|
1.0
|
|
CG
|
A:HIS286
|
4.2
|
16.3
|
1.0
|
|
ND1
|
A:HIS319
|
4.2
|
13.3
|
1.0
|
|
C3B
|
A:HEC723
|
4.2
|
11.4
|
1.0
|
|
C2B
|
A:HEC723
|
4.3
|
11.8
|
1.0
|
|
CG
|
A:HIS319
|
4.3
|
12.1
|
1.0
|
|
C2C
|
A:HEC723
|
4.3
|
14.4
|
1.0
|
|
C2A
|
A:HEC723
|
4.3
|
15.0
|
1.0
|
|
C3A
|
A:HEC723
|
4.3
|
15.4
|
1.0
|
|
C3D
|
A:HEC723
|
4.3
|
15.0
|
1.0
|
|
C2D
|
A:HEC723
|
4.3
|
18.3
|
1.0
|
|
C3C
|
A:HEC723
|
4.3
|
13.0
|
1.0
|
|
CD1
|
A:LEU318
|
4.7
|
17.4
|
1.0
|
|
CMA
|
A:HEC724
|
5.0
|
15.5
|
1.0
|
|
Iron binding site 5 out
of 10 in 8qbq
Go back to
Iron Binding Sites List in 8qbq
Iron binding site 5 out
of 10 in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
 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 the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe724
b:16.3
occ:1.00
|
FE
|
A:HEC724
|
0.0
|
16.3
|
1.0
|
|
NE2
|
A:HIS310
|
1.9
|
14.6
|
1.0
|
|
NB
|
A:HEC724
|
2.0
|
14.1
|
1.0
|
|
NA
|
A:HEC724
|
2.0
|
16.4
|
1.0
|
|
ND
|
A:HEC724
|
2.0
|
16.9
|
1.0
|
|
NC
|
A:HEC724
|
2.1
|
18.6
|
1.0
|
|
NE2
|
A:HIS297
|
2.2
|
18.1
|
1.0
|
|
CE1
|
A:HIS310
|
2.9
|
14.1
|
1.0
|
|
CD2
|
A:HIS310
|
2.9
|
16.4
|
1.0
|
|
C1B
|
A:HEC724
|
3.0
|
16.4
|
1.0
|
|
C4A
|
A:HEC724
|
3.0
|
17.6
|
1.0
|
|
C1D
|
A:HEC724
|
3.0
|
19.5
|
1.0
|
|
C4B
|
A:HEC724
|
3.1
|
16.3
|
1.0
|
|
C1A
|
A:HEC724
|
3.1
|
17.5
|
1.0
|
|
C4D
|
A:HEC724
|
3.1
|
18.3
|
1.0
|
|
C1C
|
A:HEC724
|
3.1
|
19.8
|
1.0
|
|
C4C
|
A:HEC724
|
3.1
|
19.5
|
1.0
|
|
CD2
|
A:HIS297
|
3.2
|
19.3
|
1.0
|
|
CE1
|
A:HIS297
|
3.2
|
18.3
|
1.0
|
|
CHB
|
A:HEC724
|
3.4
|
15.1
|
1.0
|
|
CHA
|
A:HEC724
|
3.4
|
19.6
|
1.0
|
|
CHD
|
A:HEC724
|
3.4
|
18.5
|
1.0
|
|
CHC
|
A:HEC724
|
3.5
|
20.0
|
1.0
|
|
ND1
|
A:HIS310
|
4.0
|
15.2
|
1.0
|
|
CG
|
A:HIS310
|
4.0
|
18.0
|
1.0
|
|
C2B
|
A:HEC724
|
4.2
|
18.2
|
1.0
|
|
C3B
|
A:HEC724
|
4.3
|
14.9
|
1.0
|
|
C3A
|
A:HEC724
|
4.3
|
18.0
|
1.0
|
|
C2D
|
A:HEC724
|
4.3
|
23.4
|
1.0
|
|
C2A
|
A:HEC724
|
4.3
|
15.9
|
1.0
|
|
C2C
|
A:HEC724
|
4.3
|
19.4
|
1.0
|
|
ND1
|
A:HIS297
|
4.3
|
16.1
|
1.0
|
|
C3D
|
A:HEC724
|
4.3
|
19.2
|
1.0
|
|
CG
|
A:HIS297
|
4.3
|
20.1
|
1.0
|
|
C3C
|
A:HEC724
|
4.3
|
19.2
|
1.0
|
|
Iron binding site 6 out
of 10 in 8qbq
Go back to
Iron Binding Sites List in 8qbq
Iron binding site 6 out
of 10 in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
 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 the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe725
b:14.9
occ:1.00
|
FE
|
A:HEC725
|
0.0
|
14.9
|
1.0
|
|
NA
|
A:HEC725
|
2.0
|
13.1
|
1.0
|
|
NB
|
A:HEC725
|
2.0
|
13.1
|
1.0
|
|
NE2
|
A:HIS564
|
2.0
|
12.6
|
1.0
|
|
NC
|
A:HEC725
|
2.0
|
15.0
|
1.0
|
|
ND
|
A:HEC725
|
2.1
|
13.0
|
1.0
|
|
NE2
|
A:HIS500
|
2.2
|
14.5
|
1.0
|
|
CE1
|
A:HIS564
|
3.0
|
15.5
|
1.0
|
|
C4A
|
A:HEC725
|
3.0
|
16.3
|
1.0
|
|
C1B
|
A:HEC725
|
3.0
|
14.8
|
1.0
|
|
C1A
|
A:HEC725
|
3.0
|
14.7
|
1.0
|
|
CD2
|
A:HIS564
|
3.1
|
14.8
|
1.0
|
|
C4B
|
A:HEC725
|
3.1
|
12.1
|
1.0
|
|
C4C
|
A:HEC725
|
3.1
|
13.1
|
1.0
|
|
C1C
|
A:HEC725
|
3.1
|
15.6
|
1.0
|
|
C4D
|
A:HEC725
|
3.1
|
16.4
|
1.0
|
|
C1D
|
A:HEC725
|
3.1
|
14.1
|
1.0
|
|
CE1
|
A:HIS500
|
3.1
|
16.0
|
1.0
|
|
CD2
|
A:HIS500
|
3.2
|
13.4
|
1.0
|
|
CHB
|
A:HEC725
|
3.4
|
14.1
|
1.0
|
|
CHA
|
A:HEC725
|
3.4
|
17.3
|
1.0
|
|
CHD
|
A:HEC725
|
3.4
|
14.2
|
1.0
|
|
CHC
|
A:HEC725
|
3.5
|
15.9
|
1.0
|
|
ND1
|
A:HIS564
|
4.1
|
13.4
|
1.0
|
|
CG
|
A:HIS564
|
4.2
|
14.5
|
1.0
|
|
C2B
|
A:HEC725
|
4.2
|
14.6
|
1.0
|
|
C3A
|
A:HEC725
|
4.2
|
16.8
|
1.0
|
|
C2A
|
A:HEC725
|
4.2
|
17.2
|
1.0
|
|
ND1
|
A:HIS500
|
4.3
|
14.1
|
1.0
|
|
C3B
|
A:HEC725
|
4.3
|
12.4
|
1.0
|
|
C2C
|
A:HEC725
|
4.3
|
13.7
|
1.0
|
|
CG
|
A:HIS500
|
4.3
|
13.0
|
1.0
|
|
C3C
|
A:HEC725
|
4.3
|
13.1
|
1.0
|
|
C3D
|
A:HEC725
|
4.3
|
14.7
|
1.0
|
|
C2D
|
A:HEC725
|
4.3
|
15.9
|
1.0
|
|
Iron binding site 7 out
of 10 in 8qbq
Go back to
Iron Binding Sites List in 8qbq
Iron binding site 7 out
of 10 in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
 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 the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe726
b:15.6
occ:1.00
|
FE
|
A:HEC726
|
0.0
|
15.6
|
1.0
|
|
NB
|
A:HEC726
|
2.0
|
15.3
|
1.0
|
|
NE2
|
A:HIS542
|
2.0
|
15.5
|
1.0
|
|
NA
|
A:HEC726
|
2.0
|
15.0
|
1.0
|
|
ND
|
A:HEC726
|
2.1
|
16.9
|
1.0
|
|
NC
|
A:HEC726
|
2.1
|
15.4
|
1.0
|
|
NE2
|
A:HIS507
|
2.2
|
18.0
|
1.0
|
|
CE1
|
A:HIS542
|
3.0
|
16.3
|
1.0
|
|
C1B
|
A:HEC726
|
3.0
|
13.7
|
1.0
|
|
C4B
|
A:HEC726
|
3.0
|
16.2
|
1.0
|
|
C4A
|
A:HEC726
|
3.1
|
15.0
|
1.0
|
|
C1D
|
A:HEC726
|
3.1
|
17.1
|
1.0
|
|
C1A
|
A:HEC726
|
3.1
|
16.8
|
1.0
|
|
CE1
|
A:HIS507
|
3.1
|
19.6
|
1.0
|
|
C4C
|
A:HEC726
|
3.1
|
16.7
|
1.0
|
|
C4D
|
A:HEC726
|
3.1
|
17.8
|
1.0
|
|
C1C
|
A:HEC726
|
3.1
|
14.6
|
1.0
|
|
CD2
|
A:HIS542
|
3.1
|
14.4
|
1.0
|
|
CD2
|
A:HIS507
|
3.2
|
17.4
|
1.0
|
|
CHB
|
A:HEC726
|
3.4
|
14.2
|
1.0
|
|
CHD
|
A:HEC726
|
3.4
|
16.4
|
1.0
|
|
CHA
|
A:HEC726
|
3.4
|
17.2
|
1.0
|
|
CHC
|
A:HEC726
|
3.5
|
16.9
|
1.0
|
|
ND1
|
A:HIS542
|
4.1
|
13.4
|
1.0
|
|
CG
|
A:HIS542
|
4.2
|
14.6
|
1.0
|
|
ND1
|
A:HIS507
|
4.2
|
21.8
|
1.0
|
|
C2B
|
A:HEC726
|
4.2
|
14.9
|
1.0
|
|
C3B
|
A:HEC726
|
4.3
|
13.2
|
1.0
|
|
C3A
|
A:HEC726
|
4.3
|
14.7
|
1.0
|
|
C2A
|
A:HEC726
|
4.3
|
14.1
|
1.0
|
|
CG
|
A:HIS507
|
4.3
|
17.3
|
1.0
|
|
C2D
|
A:HEC726
|
4.3
|
18.9
|
1.0
|
|
C2C
|
A:HEC726
|
4.3
|
15.3
|
1.0
|
|
C3C
|
A:HEC726
|
4.3
|
13.3
|
1.0
|
|
C3D
|
A:HEC726
|
4.3
|
16.9
|
1.0
|
|
Iron binding site 8 out
of 10 in 8qbq
Go back to
Iron Binding Sites List in 8qbq
Iron binding site 8 out
of 10 in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
 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 the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe727
b:12.6
occ:1.00
|
FE
|
A:HEC727
|
0.0
|
12.6
|
1.0
|
|
NE2
|
A:HIS580
|
2.0
|
12.0
|
1.0
|
|
NC
|
A:HEC727
|
2.0
|
12.6
|
1.0
|
|
ND
|
A:HEC727
|
2.0
|
13.0
|
1.0
|
|
NB
|
A:HEC727
|
2.0
|
12.5
|
1.0
|
|
NA
|
A:HEC727
|
2.1
|
9.5
|
1.0
|
|
NE2
|
A:HIS561
|
2.1
|
13.5
|
1.0
|
|
CD2
|
A:HIS580
|
3.0
|
13.3
|
1.0
|
|
CE1
|
A:HIS580
|
3.0
|
15.1
|
1.0
|
|
C1D
|
A:HEC727
|
3.0
|
12.8
|
1.0
|
|
C4C
|
A:HEC727
|
3.0
|
11.9
|
1.0
|
|
C1C
|
A:HEC727
|
3.0
|
12.8
|
1.0
|
|
C4A
|
A:HEC727
|
3.1
|
13.6
|
1.0
|
|
C4D
|
A:HEC727
|
3.1
|
13.8
|
1.0
|
|
C1B
|
A:HEC727
|
3.1
|
13.1
|
1.0
|
|
C1A
|
A:HEC727
|
3.1
|
13.5
|
1.0
|
|
C4B
|
A:HEC727
|
3.1
|
14.4
|
1.0
|
|
CE1
|
A:HIS561
|
3.1
|
13.2
|
1.0
|
|
CD2
|
A:HIS561
|
3.1
|
11.7
|
1.0
|
|
CHD
|
A:HEC727
|
3.4
|
11.7
|
1.0
|
|
CHC
|
A:HEC727
|
3.4
|
13.8
|
1.0
|
|
CHB
|
A:HEC727
|
3.4
|
12.6
|
1.0
|
|
CHA
|
A:HEC727
|
3.5
|
13.7
|
1.0
|
|
ND1
|
A:HIS580
|
4.1
|
13.7
|
1.0
|
|
CG
|
A:HIS580
|
4.1
|
10.6
|
1.0
|
|
ND1
|
A:HIS561
|
4.2
|
12.6
|
1.0
|
|
CG
|
A:HIS561
|
4.3
|
10.8
|
1.0
|
|
C2C
|
A:HEC727
|
4.3
|
13.3
|
1.0
|
|
C2D
|
A:HEC727
|
4.3
|
11.3
|
1.0
|
|
C3C
|
A:HEC727
|
4.3
|
12.5
|
1.0
|
|
C3A
|
A:HEC727
|
4.3
|
12.2
|
1.0
|
|
C3D
|
A:HEC727
|
4.3
|
11.9
|
1.0
|
|
C2A
|
A:HEC727
|
4.3
|
12.3
|
1.0
|
|
C2B
|
A:HEC727
|
4.3
|
14.2
|
1.0
|
|
C3B
|
A:HEC727
|
4.3
|
13.5
|
1.0
|
|
CE1
|
A:PHE583
|
5.0
|
11.7
|
1.0
|
|
O
|
A:HOH1107
|
5.0
|
11.2
|
1.0
|
|
CG2
|
A:VAL491
|
5.0
|
17.6
|
1.0
|
|
Iron binding site 9 out
of 10 in 8qbq
Go back to
Iron Binding Sites List in 8qbq
Iron binding site 9 out
of 10 in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
 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 the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe728
b:13.8
occ:1.00
|
FE
|
A:HEC728
|
0.0
|
13.8
|
1.0
|
|
NE2
|
A:HIS618
|
2.0
|
13.0
|
1.0
|
|
NA
|
A:HEC728
|
2.0
|
13.3
|
1.0
|
|
NC
|
A:HEC728
|
2.0
|
14.5
|
1.0
|
|
NB
|
A:HEC728
|
2.1
|
12.6
|
1.0
|
|
ND
|
A:HEC728
|
2.1
|
11.8
|
1.0
|
|
NE2
|
A:HIS666
|
2.2
|
15.4
|
1.0
|
|
CE1
|
A:HIS618
|
2.9
|
15.0
|
1.0
|
|
C1C
|
A:HEC728
|
3.0
|
11.5
|
1.0
|
|
C4A
|
A:HEC728
|
3.0
|
14.0
|
1.0
|
|
C1A
|
A:HEC728
|
3.1
|
12.3
|
1.0
|
|
C4B
|
A:HEC728
|
3.1
|
13.6
|
1.0
|
|
C1B
|
A:HEC728
|
3.1
|
13.2
|
1.0
|
|
C1D
|
A:HEC728
|
3.1
|
15.0
|
1.0
|
|
CD2
|
A:HIS618
|
3.1
|
14.2
|
1.0
|
|
C4D
|
A:HEC728
|
3.1
|
14.4
|
1.0
|
|
C4C
|
A:HEC728
|
3.1
|
13.5
|
1.0
|
|
CD2
|
A:HIS666
|
3.1
|
14.4
|
1.0
|
|
CE1
|
A:HIS666
|
3.2
|
14.2
|
1.0
|
|
CHC
|
A:HEC728
|
3.4
|
12.5
|
1.0
|
|
CHA
|
A:HEC728
|
3.4
|
14.6
|
1.0
|
|
CHB
|
A:HEC728
|
3.4
|
14.8
|
1.0
|
|
CHD
|
A:HEC728
|
3.5
|
14.4
|
1.0
|
|
ND1
|
A:HIS618
|
4.1
|
13.8
|
1.0
|
|
CG
|
A:HIS618
|
4.2
|
14.3
|
1.0
|
|
C3A
|
A:HEC728
|
4.3
|
14.4
|
1.0
|
|
C2C
|
A:HEC728
|
4.3
|
13.5
|
1.0
|
|
C2A
|
A:HEC728
|
4.3
|
12.8
|
1.0
|
|
CG
|
A:HIS666
|
4.3
|
13.9
|
1.0
|
|
ND1
|
A:HIS666
|
4.3
|
12.3
|
1.0
|
|
C2B
|
A:HEC728
|
4.3
|
13.6
|
1.0
|
|
C3C
|
A:HEC728
|
4.3
|
13.8
|
1.0
|
|
C3B
|
A:HEC728
|
4.3
|
11.5
|
1.0
|
|
C2D
|
A:HEC728
|
4.3
|
17.4
|
1.0
|
|
C3D
|
A:HEC728
|
4.3
|
15.0
|
1.0
|
|
CBB
|
A:HEC727
|
4.8
|
13.6
|
1.0
|
|
CMA
|
A:HEC729
|
5.0
|
13.5
|
1.0
|
|
Iron binding site 10 out
of 10 in 8qbq
Go back to
Iron Binding Sites List in 8qbq
Iron binding site 10 out
of 10 in the Crystal Structure of the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys)
 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 the Outer Membrane Decaheme Cytochrome Mtrc (A430BOC-Lys) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe729
b:15.1
occ:1.00
|
FE
|
A:HEC729
|
0.0
|
15.1
|
1.0
|
|
NE2
|
A:HIS659
|
2.0
|
13.6
|
1.0
|
|
NB
|
A:HEC729
|
2.0
|
14.5
|
1.0
|
|
NA
|
A:HEC729
|
2.0
|
15.6
|
1.0
|
|
ND
|
A:HEC729
|
2.1
|
15.3
|
1.0
|
|
NC
|
A:HEC729
|
2.1
|
13.7
|
1.0
|
|
NE2
|
A:HIS627
|
2.2
|
15.0
|
1.0
|
|
CE1
|
A:HIS659
|
2.9
|
14.9
|
1.0
|
|
CD2
|
A:HIS659
|
3.0
|
16.0
|
1.0
|
|
C4A
|
A:HEC729
|
3.0
|
15.9
|
1.0
|
|
C1C
|
A:HEC729
|
3.1
|
14.9
|
1.0
|
|
C1B
|
A:HEC729
|
3.1
|
15.6
|
1.0
|
|
CD2
|
A:HIS627
|
3.1
|
15.4
|
1.0
|
|
C1A
|
A:HEC729
|
3.1
|
15.6
|
1.0
|
|
C4D
|
A:HEC729
|
3.1
|
16.4
|
1.0
|
|
C4B
|
A:HEC729
|
3.1
|
13.2
|
1.0
|
|
C1D
|
A:HEC729
|
3.1
|
16.0
|
1.0
|
|
C4C
|
A:HEC729
|
3.1
|
17.2
|
1.0
|
|
CE1
|
A:HIS627
|
3.3
|
17.5
|
1.0
|
|
CHB
|
A:HEC729
|
3.4
|
15.8
|
1.0
|
|
CHC
|
A:HEC729
|
3.4
|
14.5
|
1.0
|
|
CHA
|
A:HEC729
|
3.4
|
17.0
|
1.0
|
|
CHD
|
A:HEC729
|
3.5
|
16.4
|
1.0
|
|
ND1
|
A:HIS659
|
4.0
|
14.5
|
1.0
|
|
CG
|
A:HIS659
|
4.1
|
12.9
|
1.0
|
|
CG
|
A:HIS627
|
4.3
|
15.6
|
1.0
|
|
C3A
|
A:HEC729
|
4.3
|
12.7
|
1.0
|
|
C2A
|
A:HEC729
|
4.3
|
12.7
|
1.0
|
|
C2B
|
A:HEC729
|
4.3
|
18.3
|
1.0
|
|
C2C
|
A:HEC729
|
4.3
|
14.2
|
1.0
|
|
C3D
|
A:HEC729
|
4.3
|
17.4
|
1.0
|
|
C3B
|
A:HEC729
|
4.3
|
14.3
|
1.0
|
|
ND1
|
A:HIS627
|
4.3
|
15.4
|
1.0
|
|
C2D
|
A:HEC729
|
4.3
|
18.8
|
1.0
|
|
C3C
|
A:HEC729
|
4.3
|
14.9
|
1.0
|
|
Reference:
C.W.J.Lockwood,
B.W.Nash,
S.E.Newton-Payne,
J.H.Van Wonderen,
K.P.S.Whiting,
A.Connolly,
A.L.Sutton-Cook,
A.Crook,
A.R.Aithal,
M.J.Edwards,
T.A.Clarke,
A.Sachdeva,
J.N.Butt.
Genetic Code Expansion in Shewanella Oneidensis Mr-1 Allows Site-Specific Incorporation of Bioorthogonal Functional Groups Into A C -Type Cytochrome. Acs Synth Biol 2024.
ISSN: ESSN 2161-5063
PubMed: 39158169
DOI: 10.1021/ACSSYNBIO.4C00248
Page generated: Thu Aug 7 21:07:31 2025
|
