Iron in PDB 6koe: X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis
Protein crystallography data
The structure of X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis, PDB code: 6koe
was solved by
J.Xu,
Z.Ding,
B.Liu,
J.Li,
R.B.Gennis,
J.Zhu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.25 /
3.75
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
112.988,
162.110,
149.509,
90.00,
109.02,
90.00
|
R / Rfree (%)
|
34.7 /
36.8
|
Other elements in 6koe:
The structure of X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis
(pdb code 6koe). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis, PDB code: 6koe:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 6koe
Go back to
Iron Binding Sites List in 6koe
Iron binding site 1 out
of 4 in the X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1001
b:0.9
occ:1.00
|
FE
|
A:HEA1001
|
0.0
|
0.9
|
1.0
|
NA
|
A:HEA1001
|
2.0
|
0.8
|
1.0
|
NC
|
A:HEA1001
|
2.1
|
1.0
|
1.0
|
ND
|
A:HEA1001
|
2.1
|
1.0
|
1.0
|
NB
|
A:HEA1001
|
2.1
|
0.7
|
1.0
|
NE2
|
A:HIS417
|
2.6
|
0.4
|
1.0
|
NE2
|
A:HIS102
|
2.8
|
0.3
|
1.0
|
C4A
|
A:HEA1001
|
2.9
|
0.6
|
1.0
|
C1A
|
A:HEA1001
|
2.9
|
0.4
|
1.0
|
C4D
|
A:HEA1001
|
3.1
|
0.7
|
1.0
|
C1C
|
A:HEA1001
|
3.1
|
0.1
|
1.0
|
C1B
|
A:HEA1001
|
3.1
|
0.2
|
1.0
|
C4B
|
A:HEA1001
|
3.1
|
0.5
|
1.0
|
C4C
|
A:HEA1001
|
3.1
|
0.9
|
1.0
|
C1D
|
A:HEA1001
|
3.1
|
0.7
|
1.0
|
CD2
|
A:HIS102
|
3.2
|
0.8
|
1.0
|
CHA
|
A:HEA1001
|
3.4
|
0.6
|
1.0
|
CHB
|
A:HEA1001
|
3.4
|
0.1
|
1.0
|
CHC
|
A:HEA1001
|
3.4
|
0.5
|
1.0
|
CHD
|
A:HEA1001
|
3.5
|
0.9
|
1.0
|
CE1
|
A:HIS417
|
3.5
|
0.3
|
1.0
|
CD2
|
A:HIS417
|
3.6
|
0.5
|
1.0
|
CE1
|
A:HIS102
|
4.0
|
0.5
|
1.0
|
C3A
|
A:HEA1001
|
4.1
|
0.5
|
1.0
|
C2A
|
A:HEA1001
|
4.1
|
0.8
|
1.0
|
C3C
|
A:HEA1001
|
4.4
|
0.8
|
1.0
|
C3D
|
A:HEA1001
|
4.4
|
0.3
|
1.0
|
C2D
|
A:HEA1001
|
4.4
|
0.3
|
1.0
|
C2B
|
A:HEA1001
|
4.4
|
0.1
|
1.0
|
C3B
|
A:HEA1001
|
4.4
|
0.7
|
1.0
|
C2C
|
A:HEA1001
|
4.5
|
0.7
|
1.0
|
CG
|
A:HIS102
|
4.5
|
0.4
|
1.0
|
ND1
|
A:HIS417
|
4.7
|
0.7
|
1.0
|
CG
|
A:HIS417
|
4.7
|
0.5
|
1.0
|
ND1
|
A:HIS102
|
4.9
|
0.5
|
1.0
|
|
Iron binding site 2 out
of 4 in 6koe
Go back to
Iron Binding Sites List in 6koe
Iron binding site 2 out
of 4 in the X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1002
b:0.3
occ:1.00
|
FE
|
A:HEA1002
|
0.0
|
0.3
|
1.0
|
NA
|
A:HEA1002
|
2.0
|
0.4
|
1.0
|
NC
|
A:HEA1002
|
2.1
|
0.2
|
1.0
|
ND
|
A:HEA1002
|
2.1
|
0.7
|
1.0
|
NB
|
A:HEA1002
|
2.1
|
0.9
|
1.0
|
NE2
|
A:HIS415
|
2.9
|
0.9
|
1.0
|
C4A
|
A:HEA1002
|
3.0
|
0.2
|
1.0
|
C1A
|
A:HEA1002
|
3.0
|
0.4
|
1.0
|
C4D
|
A:HEA1002
|
3.1
|
0.9
|
1.0
|
C4C
|
A:HEA1002
|
3.1
|
0.6
|
1.0
|
C1B
|
A:HEA1002
|
3.1
|
0.2
|
1.0
|
C1C
|
A:HEA1002
|
3.1
|
0.6
|
1.0
|
C1D
|
A:HEA1002
|
3.2
|
0.8
|
1.0
|
C4B
|
A:HEA1002
|
3.2
|
0.0
|
1.0
|
CHA
|
A:HEA1002
|
3.4
|
0.2
|
1.0
|
CHB
|
A:HEA1002
|
3.4
|
0.9
|
1.0
|
CHD
|
A:HEA1002
|
3.5
|
1.0
|
1.0
|
CHC
|
A:HEA1002
|
3.5
|
0.5
|
1.0
|
CE1
|
A:HIS415
|
3.7
|
0.6
|
1.0
|
CD2
|
A:HIS415
|
3.9
|
0.7
|
1.0
|
C3A
|
A:HEA1002
|
4.1
|
0.8
|
1.0
|
C2A
|
A:HEA1002
|
4.2
|
0.3
|
1.0
|
C3C
|
A:HEA1002
|
4.4
|
0.5
|
1.0
|
C3D
|
A:HEA1002
|
4.5
|
0.3
|
1.0
|
C2D
|
A:HEA1002
|
4.5
|
0.7
|
1.0
|
C2C
|
A:HEA1002
|
4.5
|
0.0
|
1.0
|
C2B
|
A:HEA1002
|
4.5
|
0.1
|
1.0
|
C3B
|
A:HEA1002
|
4.5
|
0.9
|
1.0
|
CU
|
A:CU1003
|
4.9
|
0.7
|
1.0
|
ND1
|
A:HIS415
|
4.9
|
0.3
|
1.0
|
CE1
|
A:HIS280
|
5.0
|
0.8
|
1.0
|
|
Iron binding site 3 out
of 4 in 6koe
Go back to
Iron Binding Sites List in 6koe
Iron binding site 3 out
of 4 in the X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe1001
b:0.4
occ:1.00
|
FE
|
E:HEA1001
|
0.0
|
0.4
|
1.0
|
NA
|
E:HEA1001
|
2.0
|
0.9
|
1.0
|
NB
|
E:HEA1001
|
2.1
|
0.8
|
1.0
|
NC
|
E:HEA1001
|
2.1
|
0.8
|
1.0
|
ND
|
E:HEA1001
|
2.1
|
0.1
|
1.0
|
NE2
|
E:HIS102
|
2.4
|
0.2
|
1.0
|
NE2
|
E:HIS417
|
2.6
|
99.1
|
1.0
|
C4A
|
E:HEA1001
|
2.9
|
0.4
|
1.0
|
C1A
|
E:HEA1001
|
3.0
|
0.4
|
1.0
|
C1B
|
E:HEA1001
|
3.1
|
0.1
|
1.0
|
CD2
|
E:HIS102
|
3.1
|
0.8
|
1.0
|
C4B
|
E:HEA1001
|
3.1
|
0.6
|
1.0
|
C1D
|
E:HEA1001
|
3.1
|
0.7
|
1.0
|
C4C
|
E:HEA1001
|
3.1
|
0.9
|
1.0
|
C4D
|
E:HEA1001
|
3.1
|
0.6
|
1.0
|
C1C
|
E:HEA1001
|
3.1
|
0.7
|
1.0
|
CE1
|
E:HIS102
|
3.4
|
0.7
|
1.0
|
CHA
|
E:HEA1001
|
3.4
|
0.8
|
1.0
|
CHB
|
E:HEA1001
|
3.4
|
0.6
|
1.0
|
CHC
|
E:HEA1001
|
3.4
|
1.0
|
1.0
|
CHD
|
E:HEA1001
|
3.5
|
0.2
|
1.0
|
CE1
|
E:HIS417
|
3.5
|
100.0
|
1.0
|
CD2
|
E:HIS417
|
3.6
|
0.1
|
1.0
|
C3A
|
E:HEA1001
|
4.1
|
0.7
|
1.0
|
C2A
|
E:HEA1001
|
4.1
|
0.8
|
1.0
|
CG
|
E:HIS102
|
4.3
|
99.5
|
1.0
|
ND1
|
E:HIS102
|
4.3
|
0.6
|
1.0
|
C2B
|
E:HEA1001
|
4.4
|
0.2
|
1.0
|
C3C
|
E:HEA1001
|
4.4
|
0.9
|
1.0
|
C3B
|
E:HEA1001
|
4.4
|
0.8
|
1.0
|
C2D
|
E:HEA1001
|
4.4
|
0.1
|
1.0
|
C3D
|
E:HEA1001
|
4.5
|
0.1
|
1.0
|
C2C
|
E:HEA1001
|
4.5
|
0.1
|
1.0
|
ND1
|
E:HIS417
|
4.6
|
0.8
|
1.0
|
CG
|
E:HIS417
|
4.7
|
0.6
|
1.0
|
|
Iron binding site 4 out
of 4 in 6koe
Go back to
Iron Binding Sites List in 6koe
Iron binding site 4 out
of 4 in the X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of X-Ray Structure of the Proton-Pumping Cytochrome AA3-600 Menaquinol Oxidase From Bacillus Subtilis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe1002
b:0.4
occ:1.00
|
FE
|
E:HEA1002
|
0.0
|
0.4
|
1.0
|
NA
|
E:HEA1002
|
2.0
|
0.7
|
1.0
|
NC
|
E:HEA1002
|
2.1
|
0.8
|
1.0
|
ND
|
E:HEA1002
|
2.1
|
0.9
|
1.0
|
NB
|
E:HEA1002
|
2.1
|
0.1
|
1.0
|
NE2
|
E:HIS415
|
2.7
|
1.0
|
1.0
|
C4A
|
E:HEA1002
|
2.9
|
0.2
|
1.0
|
C1A
|
E:HEA1002
|
3.0
|
0.6
|
1.0
|
C4D
|
E:HEA1002
|
3.1
|
0.8
|
1.0
|
C1C
|
E:HEA1002
|
3.1
|
0.4
|
1.0
|
C4C
|
E:HEA1002
|
3.1
|
0.5
|
1.0
|
C1D
|
E:HEA1002
|
3.2
|
0.4
|
1.0
|
C1B
|
E:HEA1002
|
3.2
|
0.1
|
1.0
|
C4B
|
E:HEA1002
|
3.2
|
0.2
|
1.0
|
CHA
|
E:HEA1002
|
3.4
|
0.4
|
1.0
|
CHB
|
E:HEA1002
|
3.4
|
0.1
|
1.0
|
CHC
|
E:HEA1002
|
3.5
|
0.4
|
1.0
|
CHD
|
E:HEA1002
|
3.5
|
0.5
|
1.0
|
CE1
|
E:HIS415
|
3.5
|
0.3
|
1.0
|
CD2
|
E:HIS415
|
3.8
|
0.6
|
1.0
|
C3A
|
E:HEA1002
|
4.1
|
0.9
|
1.0
|
C2A
|
E:HEA1002
|
4.1
|
0.9
|
1.0
|
CU
|
E:CU1003
|
4.4
|
0.5
|
1.0
|
C3C
|
E:HEA1002
|
4.5
|
0.9
|
1.0
|
C2D
|
E:HEA1002
|
4.5
|
0.9
|
1.0
|
C3D
|
E:HEA1002
|
4.5
|
0.2
|
1.0
|
C2C
|
E:HEA1002
|
4.5
|
0.1
|
1.0
|
C2B
|
E:HEA1002
|
4.5
|
0.2
|
1.0
|
C3B
|
E:HEA1002
|
4.5
|
0.3
|
1.0
|
ND1
|
E:HIS415
|
4.7
|
0.7
|
1.0
|
CG
|
E:HIS415
|
4.9
|
0.4
|
1.0
|
|
Reference:
J.Xu,
Z.Ding,
B.Liu,
S.M.Yi,
J.Li,
Z.Zhang,
Y.Liu,
J.Li,
L.Liu,
A.Zhou,
R.B.Gennis,
J.Zhu.
Structure of the Cytochrome AA3-600 Heme-Copper Menaquinol Oxidase Bound to Inhibitor Hqno Shows TM0 Is Part of the Quinol Binding Site Proc.Natl.Acad.Sci.Usa 2010.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.1915013117
Page generated: Wed Aug 7 00:21:30 2024
|