Iron in PDB 2a3m: Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form)
Protein crystallography data
The structure of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form), PDB code: 2a3m
was solved by
M.V.Pattarkine,
J.J.Tanner,
C.A.Bottoms,
Y.H.Lee,
J.D.Wall,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
34.96 /
1.50
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
43.670,
43.876,
57.729,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.5 /
19.5
|
Iron Binding Sites:
The binding sites of Iron atom in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form)
(pdb code 2a3m). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form), PDB code: 2a3m:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 2a3m
Go back to
Iron Binding Sites List in 2a3m
Iron binding site 1 out
of 4 in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:11.0
occ:1.00
|
FE
|
A:HEM501
|
0.0
|
11.0
|
1.0
|
NE2
|
A:HIS33
|
1.9
|
9.8
|
1.0
|
NE2
|
A:HIS21
|
1.9
|
11.6
|
1.0
|
NA
|
A:HEM501
|
2.0
|
10.2
|
1.0
|
NB
|
A:HEM501
|
2.0
|
12.0
|
1.0
|
NC
|
A:HEM501
|
2.0
|
11.1
|
1.0
|
ND
|
A:HEM501
|
2.0
|
9.4
|
1.0
|
CE1
|
A:HIS33
|
2.9
|
12.0
|
1.0
|
CE1
|
A:HIS21
|
2.9
|
9.4
|
1.0
|
CD2
|
A:HIS33
|
3.0
|
11.5
|
1.0
|
CD2
|
A:HIS21
|
3.0
|
10.6
|
1.0
|
C1D
|
A:HEM501
|
3.0
|
10.6
|
1.0
|
C4A
|
A:HEM501
|
3.0
|
12.8
|
1.0
|
C1B
|
A:HEM501
|
3.0
|
10.7
|
1.0
|
C4C
|
A:HEM501
|
3.0
|
12.5
|
1.0
|
C4B
|
A:HEM501
|
3.0
|
9.3
|
1.0
|
C1C
|
A:HEM501
|
3.1
|
9.8
|
1.0
|
C1A
|
A:HEM501
|
3.1
|
12.3
|
1.0
|
C4D
|
A:HEM501
|
3.1
|
11.3
|
1.0
|
CHD
|
A:HEM501
|
3.4
|
11.6
|
1.0
|
CHB
|
A:HEM501
|
3.4
|
11.4
|
1.0
|
CHC
|
A:HEM501
|
3.4
|
9.7
|
1.0
|
CHA
|
A:HEM501
|
3.4
|
12.0
|
1.0
|
ND1
|
A:HIS33
|
4.0
|
12.1
|
1.0
|
ND1
|
A:HIS21
|
4.0
|
10.3
|
1.0
|
CG
|
A:HIS33
|
4.1
|
11.8
|
1.0
|
CG
|
A:HIS21
|
4.1
|
10.4
|
1.0
|
C2D
|
A:HEM501
|
4.2
|
12.7
|
1.0
|
C3A
|
A:HEM501
|
4.3
|
13.2
|
1.0
|
C3B
|
A:HEM501
|
4.3
|
11.0
|
1.0
|
C2B
|
A:HEM501
|
4.3
|
10.2
|
1.0
|
C3C
|
A:HEM501
|
4.3
|
10.9
|
1.0
|
C2A
|
A:HEM501
|
4.3
|
14.1
|
1.0
|
C2C
|
A:HEM501
|
4.3
|
10.4
|
1.0
|
C3D
|
A:HEM501
|
4.3
|
11.9
|
1.0
|
CE2
|
A:PHE19
|
4.7
|
11.3
|
1.0
|
CD
|
A:PRO4
|
4.7
|
13.4
|
1.0
|
|
Iron binding site 2 out
of 4 in 2a3m
Go back to
Iron Binding Sites List in 2a3m
Iron binding site 2 out
of 4 in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:12.2
occ:1.00
|
FE
|
A:HEM502
|
0.0
|
12.2
|
1.0
|
NE2
|
A:HIS34
|
1.9
|
10.9
|
1.0
|
NE2
|
A:HIS51
|
1.9
|
12.5
|
1.0
|
NA
|
A:HEM502
|
2.0
|
11.3
|
1.0
|
NC
|
A:HEM502
|
2.0
|
11.4
|
1.0
|
NB
|
A:HEM502
|
2.0
|
11.8
|
1.0
|
ND
|
A:HEM502
|
2.0
|
11.9
|
1.0
|
CE1
|
A:HIS34
|
2.9
|
11.3
|
1.0
|
CE1
|
A:HIS51
|
2.9
|
11.4
|
1.0
|
CD2
|
A:HIS51
|
3.0
|
13.6
|
1.0
|
CD2
|
A:HIS34
|
3.0
|
12.2
|
1.0
|
C1A
|
A:HEM502
|
3.0
|
11.5
|
1.0
|
C4D
|
A:HEM502
|
3.0
|
12.2
|
1.0
|
C4C
|
A:HEM502
|
3.0
|
14.0
|
1.0
|
C4B
|
A:HEM502
|
3.0
|
11.8
|
1.0
|
C1C
|
A:HEM502
|
3.0
|
11.7
|
1.0
|
C1D
|
A:HEM502
|
3.1
|
13.7
|
1.0
|
C1B
|
A:HEM502
|
3.1
|
12.2
|
1.0
|
C4A
|
A:HEM502
|
3.1
|
11.2
|
1.0
|
CHA
|
A:HEM502
|
3.4
|
13.1
|
1.0
|
CHD
|
A:HEM502
|
3.4
|
14.0
|
1.0
|
CHC
|
A:HEM502
|
3.4
|
13.3
|
1.0
|
CHB
|
A:HEM502
|
3.4
|
12.3
|
1.0
|
ND1
|
A:HIS34
|
4.0
|
11.4
|
1.0
|
ND1
|
A:HIS51
|
4.0
|
11.1
|
1.0
|
CG
|
A:HIS34
|
4.1
|
11.3
|
1.0
|
CG
|
A:HIS51
|
4.1
|
12.4
|
1.0
|
C2A
|
A:HEM502
|
4.3
|
11.1
|
1.0
|
C3B
|
A:HEM502
|
4.3
|
12.6
|
1.0
|
C2C
|
A:HEM502
|
4.3
|
11.7
|
1.0
|
C3A
|
A:HEM502
|
4.3
|
10.6
|
1.0
|
C3C
|
A:HEM502
|
4.3
|
11.4
|
1.0
|
C2B
|
A:HEM502
|
4.3
|
12.3
|
1.0
|
C2D
|
A:HEM502
|
4.3
|
13.4
|
1.0
|
C3D
|
A:HEM502
|
4.3
|
14.8
|
1.0
|
|
Iron binding site 3 out
of 4 in 2a3m
Go back to
Iron Binding Sites List in 2a3m
Iron binding site 3 out
of 4 in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe503
b:12.2
occ:1.00
|
FE
|
A:HEM503
|
0.0
|
12.2
|
1.0
|
NE2
|
A:HIS83
|
1.9
|
11.6
|
1.0
|
NE2
|
A:HIS24
|
1.9
|
11.7
|
1.0
|
NC
|
A:HEM503
|
2.0
|
10.9
|
1.0
|
NB
|
A:HEM503
|
2.0
|
10.9
|
1.0
|
ND
|
A:HEM503
|
2.0
|
12.7
|
1.0
|
NA
|
A:HEM503
|
2.0
|
11.7
|
1.0
|
CE1
|
A:HIS83
|
2.9
|
10.9
|
1.0
|
CE1
|
A:HIS24
|
2.9
|
13.3
|
1.0
|
CD2
|
A:HIS24
|
3.0
|
12.9
|
1.0
|
CD2
|
A:HIS83
|
3.0
|
13.5
|
1.0
|
C4B
|
A:HEM503
|
3.0
|
11.0
|
1.0
|
C1C
|
A:HEM503
|
3.0
|
10.4
|
1.0
|
C4D
|
A:HEM503
|
3.1
|
13.3
|
1.0
|
C1A
|
A:HEM503
|
3.1
|
11.2
|
1.0
|
C4C
|
A:HEM503
|
3.1
|
12.1
|
1.0
|
C1D
|
A:HEM503
|
3.1
|
12.0
|
1.0
|
C4A
|
A:HEM503
|
3.1
|
11.4
|
1.0
|
C1B
|
A:HEM503
|
3.1
|
11.1
|
1.0
|
CHC
|
A:HEM503
|
3.4
|
11.1
|
1.0
|
CHA
|
A:HEM503
|
3.4
|
14.8
|
1.0
|
CHD
|
A:HEM503
|
3.4
|
13.3
|
1.0
|
CHB
|
A:HEM503
|
3.5
|
11.1
|
1.0
|
ND1
|
A:HIS83
|
4.0
|
14.6
|
1.0
|
ND1
|
A:HIS24
|
4.0
|
12.6
|
1.0
|
CG
|
A:HIS24
|
4.1
|
10.3
|
1.0
|
CG
|
A:HIS83
|
4.1
|
12.2
|
1.0
|
C3B
|
A:HEM503
|
4.3
|
13.6
|
1.0
|
C3A
|
A:HEM503
|
4.3
|
12.1
|
1.0
|
C2B
|
A:HEM503
|
4.3
|
12.5
|
1.0
|
C2C
|
A:HEM503
|
4.3
|
9.6
|
1.0
|
C3C
|
A:HEM503
|
4.3
|
11.7
|
1.0
|
C2A
|
A:HEM503
|
4.3
|
11.7
|
1.0
|
C2D
|
A:HEM503
|
4.3
|
14.5
|
1.0
|
C3D
|
A:HEM503
|
4.3
|
16.1
|
1.0
|
|
Iron binding site 4 out
of 4 in 2a3m
Go back to
Iron Binding Sites List in 2a3m
Iron binding site 4 out
of 4 in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome (Oxidized Form) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe504
b:11.4
occ:1.00
|
FE
|
A:HEM504
|
0.0
|
11.4
|
1.0
|
NE2
|
A:HIS106
|
1.9
|
9.4
|
1.0
|
NE2
|
A:HIS69
|
1.9
|
10.5
|
1.0
|
NC
|
A:HEM504
|
2.0
|
11.0
|
1.0
|
NA
|
A:HEM504
|
2.0
|
9.6
|
1.0
|
ND
|
A:HEM504
|
2.0
|
11.8
|
1.0
|
NB
|
A:HEM504
|
2.1
|
10.1
|
1.0
|
CE1
|
A:HIS106
|
2.9
|
10.2
|
1.0
|
CE1
|
A:HIS69
|
2.9
|
12.1
|
1.0
|
CD2
|
A:HIS106
|
3.0
|
11.8
|
1.0
|
CD2
|
A:HIS69
|
3.0
|
11.8
|
1.0
|
C4C
|
A:HEM504
|
3.0
|
11.8
|
1.0
|
C4A
|
A:HEM504
|
3.0
|
9.5
|
1.0
|
C1D
|
A:HEM504
|
3.0
|
9.8
|
1.0
|
C1B
|
A:HEM504
|
3.0
|
10.2
|
1.0
|
C1C
|
A:HEM504
|
3.1
|
10.5
|
1.0
|
C4D
|
A:HEM504
|
3.1
|
11.6
|
1.0
|
C4B
|
A:HEM504
|
3.1
|
11.3
|
1.0
|
C1A
|
A:HEM504
|
3.1
|
10.8
|
1.0
|
CHD
|
A:HEM504
|
3.4
|
11.2
|
1.0
|
CHB
|
A:HEM504
|
3.4
|
12.0
|
1.0
|
CHC
|
A:HEM504
|
3.5
|
10.7
|
1.0
|
CHA
|
A:HEM504
|
3.5
|
12.7
|
1.0
|
ND1
|
A:HIS106
|
4.0
|
12.6
|
1.0
|
ND1
|
A:HIS69
|
4.0
|
11.4
|
1.0
|
CG
|
A:HIS106
|
4.1
|
12.3
|
1.0
|
CG
|
A:HIS69
|
4.1
|
9.9
|
1.0
|
C3C
|
A:HEM504
|
4.2
|
10.3
|
1.0
|
C3A
|
A:HEM504
|
4.2
|
12.1
|
1.0
|
C2C
|
A:HEM504
|
4.3
|
10.1
|
1.0
|
C2B
|
A:HEM504
|
4.3
|
10.9
|
1.0
|
C2D
|
A:HEM504
|
4.3
|
11.1
|
1.0
|
C3B
|
A:HEM504
|
4.3
|
11.8
|
1.0
|
C2A
|
A:HEM504
|
4.3
|
11.2
|
1.0
|
C3D
|
A:HEM504
|
4.3
|
13.2
|
1.0
|
CG2
|
A:ILE68
|
4.8
|
12.3
|
1.0
|
|
Reference:
M.V.Pattarkine,
J.J.Tanner,
C.A.Bottoms,
Y.H.Lee,
J.D.Wall.
Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome Structure at 1.5A and Cytochrome Interaction with Metal Complexes J.Mol.Biol. V. 358 1314 2006.
ISSN: ISSN 0022-2836
PubMed: 16580681
DOI: 10.1016/J.JMB.2006.03.010
Page generated: Sat Aug 3 18:50:46 2024
|