Iron in PDB 7ou7: Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 in Complex with Nitrite
Protein crystallography data
The structure of Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 in Complex with Nitrite, PDB code: 7ou7
was solved by
D.Schmidt,
G.Mlynek,
K.Djinovic-Carugo,
C.Obinger,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.54 /
1.63
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
54.954,
73.049,
59.973,
90,
112.32,
90
|
R / Rfree (%)
|
16.8 /
18.9
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 in Complex with Nitrite
(pdb code 7ou7). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the
Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 in Complex with Nitrite, PDB code: 7ou7:
Jump to Iron binding site number:
1;
2;
Iron binding site 1 out
of 2 in 7ou7
Go back to
Iron Binding Sites List in 7ou7
Iron binding site 1 out
of 2 in the Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 in Complex with Nitrite
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 Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 in Complex with Nitrite within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:16.5
occ:1.00
|
FE
|
A:HEM501
|
0.0
|
16.5
|
1.0
|
NA
|
A:HEM501
|
2.0
|
16.1
|
1.0
|
NC
|
A:HEM501
|
2.0
|
14.2
|
1.0
|
ND
|
A:HEM501
|
2.0
|
14.1
|
1.0
|
NB
|
A:HEM501
|
2.1
|
14.2
|
1.0
|
NE2
|
A:HIS114
|
2.1
|
18.2
|
1.0
|
O2
|
A:NO2502
|
2.1
|
19.8
|
1.0
|
CE1
|
A:HIS114
|
2.9
|
20.6
|
1.0
|
C1A
|
A:HEM501
|
3.0
|
18.1
|
1.0
|
C4D
|
A:HEM501
|
3.0
|
18.7
|
1.0
|
C1D
|
A:HEM501
|
3.0
|
15.9
|
1.0
|
C1B
|
A:HEM501
|
3.1
|
15.2
|
1.0
|
C1C
|
A:HEM501
|
3.1
|
15.2
|
1.0
|
C4A
|
A:HEM501
|
3.1
|
16.7
|
1.0
|
C4C
|
A:HEM501
|
3.1
|
15.0
|
1.0
|
N
|
A:NO2502
|
3.1
|
23.2
|
1.0
|
C4B
|
A:HEM501
|
3.1
|
16.2
|
1.0
|
CD2
|
A:HIS114
|
3.2
|
17.5
|
1.0
|
CHA
|
A:HEM501
|
3.4
|
20.0
|
1.0
|
CHD
|
A:HEM501
|
3.4
|
15.1
|
1.0
|
CHB
|
A:HEM501
|
3.4
|
18.8
|
1.0
|
CHC
|
A:HEM501
|
3.5
|
17.4
|
1.0
|
ND1
|
A:HIS114
|
4.1
|
24.8
|
1.0
|
CG
|
A:HIS114
|
4.2
|
17.0
|
1.0
|
C3D
|
A:HEM501
|
4.3
|
13.8
|
1.0
|
C2D
|
A:HEM501
|
4.3
|
15.6
|
1.0
|
C2A
|
A:HEM501
|
4.3
|
18.4
|
1.0
|
C3A
|
A:HEM501
|
4.3
|
20.6
|
1.0
|
C2B
|
A:HEM501
|
4.3
|
17.6
|
1.0
|
C2C
|
A:HEM501
|
4.3
|
19.0
|
1.0
|
C3C
|
A:HEM501
|
4.3
|
15.5
|
1.0
|
NE
|
A:ARG127
|
4.3
|
22.9
|
1.0
|
C3B
|
A:HEM501
|
4.3
|
15.7
|
1.0
|
NH2
|
A:ARG127
|
4.3
|
23.5
|
1.0
|
O1
|
A:NO2502
|
4.3
|
31.2
|
1.0
|
CZ
|
A:ARG127
|
4.8
|
22.1
|
1.0
|
CE
|
A:MET162
|
4.8
|
24.3
|
1.0
|
|
Iron binding site 2 out
of 2 in 7ou7
Go back to
Iron Binding Sites List in 7ou7
Iron binding site 2 out
of 2 in the Crystal Structure of Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 in Complex with Nitrite
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 Dimeric Chlorite Dismutase Variant Q74V (Ccld Q74V) From Cyanothece Sp. PCC7425 in Complex with Nitrite within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe602
b:18.0
occ:1.00
|
FE
|
B:HEM602
|
0.0
|
18.0
|
1.0
|
NC
|
B:HEM602
|
2.0
|
16.8
|
1.0
|
ND
|
B:HEM602
|
2.0
|
14.7
|
1.0
|
NB
|
B:HEM602
|
2.0
|
16.5
|
1.0
|
NA
|
B:HEM602
|
2.0
|
16.7
|
1.0
|
NE2
|
B:HIS114
|
2.1
|
18.0
|
1.0
|
O2
|
B:NO2601
|
2.1
|
19.5
|
1.0
|
CE1
|
B:HIS114
|
3.0
|
27.8
|
1.0
|
C1D
|
B:HEM602
|
3.0
|
17.1
|
1.0
|
C4C
|
B:HEM602
|
3.0
|
16.4
|
1.0
|
C1C
|
B:HEM602
|
3.0
|
18.4
|
1.0
|
C1A
|
B:HEM602
|
3.0
|
19.2
|
1.0
|
C4B
|
B:HEM602
|
3.0
|
18.4
|
1.0
|
C4D
|
B:HEM602
|
3.1
|
18.6
|
1.0
|
C1B
|
B:HEM602
|
3.1
|
18.2
|
1.0
|
C4A
|
B:HEM602
|
3.1
|
15.7
|
1.0
|
CD2
|
B:HIS114
|
3.1
|
18.1
|
1.0
|
N
|
B:NO2601
|
3.2
|
28.6
|
1.0
|
CHD
|
B:HEM602
|
3.4
|
19.0
|
1.0
|
CHC
|
B:HEM602
|
3.4
|
20.8
|
1.0
|
CHA
|
B:HEM602
|
3.4
|
16.8
|
1.0
|
CHB
|
B:HEM602
|
3.5
|
19.9
|
1.0
|
ND1
|
B:HIS114
|
4.2
|
21.4
|
1.0
|
CG
|
B:HIS114
|
4.2
|
17.5
|
1.0
|
C2D
|
B:HEM602
|
4.3
|
19.5
|
1.0
|
C3D
|
B:HEM602
|
4.3
|
16.9
|
1.0
|
C2C
|
B:HEM602
|
4.3
|
17.0
|
1.0
|
C3B
|
B:HEM602
|
4.3
|
16.9
|
1.0
|
C3C
|
B:HEM602
|
4.3
|
18.1
|
1.0
|
C2A
|
B:HEM602
|
4.3
|
18.1
|
1.0
|
C2B
|
B:HEM602
|
4.3
|
18.1
|
1.0
|
C3A
|
B:HEM602
|
4.3
|
22.1
|
1.0
|
NE
|
B:ARG127
|
4.3
|
28.5
|
1.0
|
NH2
|
B:ARG127
|
4.4
|
24.4
|
1.0
|
O1
|
B:NO2601
|
4.4
|
33.8
|
1.0
|
CZ
|
B:ARG127
|
4.7
|
33.5
|
1.0
|
CE
|
B:MET162
|
4.9
|
31.4
|
1.0
|
|
Reference:
D.Schmidt,
C.Obinger.
Impact of the Dynamics of the Catalytic Arginine on Nitrite and Chlorite Binding By Dimeric Chlorite Dismutase J.Inorg.Biochem. 2021.
ISSN: ISSN 0162-0134
DOI: 10.1016/J.JINORGBIO.2021.111689
Page generated: Fri Dec 24 06:11:32 2021
|