Chlorine in PDB 6qpu: Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331)
Enzymatic activity of Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331)
All present enzymatic activity of Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331):
1.7.2.1;
Protein crystallography data
The structure of Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331), PDB code: 6qpu
was solved by
S.V.Antonyuk,
T.M.Hedison,
R.R.Eady,
S.S.Hasnain,
N.S.Scrutton,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.68 /
2.25
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
165.884,
167.520,
143.982,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.9 /
23.7
|
Other elements in 6qpu:
The structure of Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331) also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331)
(pdb code 6qpu). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331), PDB code: 6qpu:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 6qpu
Go back to
Chlorine Binding Sites List in 6qpu
Chlorine binding site 1 out
of 6 in the Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl503
b:51.6
occ:1.00
|
CU
|
A:CU502
|
2.2
|
30.6
|
1.0
|
OD2
|
A:ASP97
|
2.5
|
30.4
|
1.0
|
NE2
|
A:HIS134
|
3.3
|
25.3
|
1.0
|
NE2
|
B:HIS240
|
3.3
|
23.8
|
1.0
|
NE2
|
A:HIS99
|
3.4
|
24.9
|
1.0
|
CD2
|
B:HIS240
|
3.4
|
23.7
|
1.0
|
CG1
|
B:ILE242
|
3.5
|
27.7
|
1.0
|
CG
|
A:ASP97
|
3.5
|
28.3
|
1.0
|
O
|
B:HOH647
|
3.5
|
29.4
|
1.0
|
CE1
|
A:HIS134
|
3.7
|
25.6
|
1.0
|
NE2
|
B:HIS289
|
3.7
|
26.1
|
1.0
|
CG2
|
B:ILE242
|
3.8
|
28.0
|
1.0
|
CD2
|
A:HIS99
|
3.9
|
24.8
|
1.0
|
CB
|
B:ILE242
|
3.9
|
27.7
|
1.0
|
OD1
|
A:ASP97
|
4.0
|
27.8
|
1.0
|
CD1
|
B:ILE242
|
4.1
|
28.2
|
1.0
|
CA
|
B:ILE242
|
4.1
|
27.2
|
1.0
|
CD2
|
B:HIS289
|
4.1
|
26.2
|
1.0
|
CE1
|
A:HIS99
|
4.5
|
24.8
|
1.0
|
CE1
|
B:HIS240
|
4.5
|
23.9
|
1.0
|
CD2
|
A:HIS134
|
4.6
|
24.8
|
1.0
|
CB
|
A:ASP97
|
4.6
|
27.9
|
1.0
|
CG
|
B:HIS240
|
4.7
|
24.0
|
1.0
|
N
|
B:ILE242
|
4.9
|
26.3
|
1.0
|
CE1
|
B:HIS289
|
4.9
|
26.1
|
1.0
|
ND1
|
A:HIS134
|
5.0
|
25.5
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 6qpu
Go back to
Chlorine Binding Sites List in 6qpu
Chlorine binding site 2 out
of 6 in the Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl504
b:48.1
occ:1.00
|
CU
|
C:CU502
|
2.2
|
25.5
|
1.0
|
OD2
|
C:ASP97
|
2.8
|
24.9
|
1.0
|
NE2
|
C:HIS134
|
3.3
|
21.5
|
1.0
|
CD2
|
A:HIS240
|
3.4
|
20.2
|
1.0
|
NE2
|
A:HIS240
|
3.4
|
20.4
|
1.0
|
NE2
|
C:HIS99
|
3.4
|
24.7
|
1.0
|
O
|
C:HOH601
|
3.4
|
37.6
|
1.0
|
NE2
|
A:HIS289
|
3.5
|
21.3
|
1.0
|
CG1
|
A:ILE242
|
3.5
|
21.6
|
1.0
|
O
|
C:HOH651
|
3.6
|
20.2
|
1.0
|
CG
|
C:ASP97
|
3.6
|
23.6
|
1.0
|
CE1
|
C:HIS134
|
3.8
|
21.7
|
1.0
|
CD2
|
A:HIS289
|
3.9
|
20.6
|
1.0
|
CD2
|
C:HIS99
|
3.9
|
24.1
|
1.0
|
CD1
|
A:ILE242
|
4.0
|
21.8
|
1.0
|
OD1
|
C:ASP97
|
4.0
|
22.7
|
1.0
|
CG2
|
A:ILE242
|
4.0
|
22.0
|
1.0
|
CB
|
A:ILE242
|
4.1
|
21.6
|
1.0
|
CA
|
A:ILE242
|
4.2
|
21.5
|
1.0
|
CE1
|
C:HIS99
|
4.4
|
24.9
|
1.0
|
CD2
|
C:HIS134
|
4.4
|
21.6
|
1.0
|
CE1
|
A:HIS240
|
4.6
|
20.1
|
1.0
|
CG
|
A:HIS240
|
4.6
|
20.1
|
1.0
|
CE1
|
A:HIS289
|
4.6
|
21.0
|
1.0
|
CB
|
C:ASP97
|
4.7
|
23.4
|
1.0
|
N
|
A:ILE242
|
4.9
|
21.3
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 6qpu
Go back to
Chlorine Binding Sites List in 6qpu
Chlorine binding site 3 out
of 6 in the Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl503
b:50.3
occ:1.00
|
CU
|
B:CU502
|
2.2
|
30.2
|
1.0
|
OD2
|
B:ASP97
|
3.1
|
24.9
|
1.0
|
CG1
|
C:ILE242
|
3.3
|
24.7
|
1.0
|
NE2
|
C:HIS289
|
3.3
|
25.0
|
1.0
|
NE2
|
B:HIS134
|
3.3
|
24.1
|
1.0
|
CD2
|
C:HIS240
|
3.7
|
23.5
|
1.0
|
CE1
|
B:HIS134
|
3.7
|
24.1
|
1.0
|
CD2
|
C:HIS289
|
3.7
|
24.5
|
1.0
|
CD1
|
C:ILE242
|
3.7
|
24.5
|
1.0
|
NE2
|
B:HIS99
|
3.8
|
24.8
|
1.0
|
NE2
|
C:HIS240
|
3.9
|
23.9
|
1.0
|
CG
|
B:ASP97
|
4.0
|
25.1
|
1.0
|
CB
|
C:ILE242
|
4.2
|
25.0
|
1.0
|
CG2
|
C:ILE242
|
4.2
|
25.2
|
1.0
|
O
|
B:HOH676
|
4.3
|
18.8
|
1.0
|
CE1
|
C:HIS289
|
4.4
|
25.2
|
1.0
|
OD1
|
B:ASP97
|
4.4
|
24.5
|
1.0
|
CD2
|
B:HIS99
|
4.5
|
24.9
|
1.0
|
CA
|
C:ILE242
|
4.5
|
24.7
|
1.0
|
CD2
|
B:HIS134
|
4.6
|
24.0
|
1.0
|
CE1
|
B:HIS99
|
4.7
|
24.4
|
1.0
|
CG
|
C:HIS240
|
4.8
|
23.5
|
1.0
|
CG
|
C:HIS289
|
4.9
|
24.1
|
1.0
|
ND1
|
B:HIS134
|
5.0
|
24.1
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 6qpu
Go back to
Chlorine Binding Sites List in 6qpu
Chlorine binding site 4 out
of 6 in the Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl503
b:45.8
occ:1.00
|
CU
|
D:CU502
|
2.2
|
28.3
|
1.0
|
OD2
|
D:ASP97
|
2.8
|
30.5
|
1.0
|
NE2
|
D:HIS99
|
3.3
|
25.0
|
1.0
|
CG1
|
E:ILE242
|
3.4
|
26.2
|
1.0
|
CD2
|
E:HIS240
|
3.4
|
22.9
|
1.0
|
NE2
|
E:HIS240
|
3.4
|
22.5
|
1.0
|
NE2
|
D:HIS134
|
3.4
|
24.8
|
1.0
|
NE2
|
E:HIS289
|
3.6
|
25.1
|
1.0
|
CG
|
D:ASP97
|
3.6
|
28.9
|
1.0
|
CD2
|
D:HIS99
|
3.9
|
25.2
|
1.0
|
CD1
|
E:ILE242
|
3.9
|
26.3
|
1.0
|
OD1
|
D:ASP97
|
3.9
|
29.0
|
1.0
|
CD2
|
E:HIS289
|
4.0
|
24.4
|
1.0
|
CE1
|
D:HIS134
|
4.0
|
24.8
|
1.0
|
CB
|
E:ILE242
|
4.1
|
26.3
|
1.0
|
CG2
|
E:ILE242
|
4.1
|
26.6
|
1.0
|
CA
|
E:ILE242
|
4.2
|
25.6
|
1.0
|
CE1
|
D:HIS99
|
4.4
|
25.2
|
1.0
|
CD2
|
D:HIS134
|
4.6
|
24.6
|
1.0
|
CE1
|
E:HIS240
|
4.7
|
22.5
|
1.0
|
CG
|
E:HIS240
|
4.7
|
23.1
|
1.0
|
CE1
|
E:HIS289
|
4.7
|
24.8
|
1.0
|
CB
|
D:ASP97
|
4.8
|
28.5
|
1.0
|
N
|
E:ILE242
|
5.0
|
25.5
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 6qpu
Go back to
Chlorine Binding Sites List in 6qpu
Chlorine binding site 5 out
of 6 in the Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl504
b:51.6
occ:1.00
|
CU
|
F:CU502
|
2.3
|
30.9
|
1.0
|
OD2
|
F:ASP97
|
2.9
|
30.7
|
1.0
|
NE2
|
F:HIS134
|
3.3
|
26.2
|
1.0
|
CG1
|
D:ILE242
|
3.3
|
28.5
|
1.0
|
NE2
|
D:HIS240
|
3.3
|
25.1
|
1.0
|
CD1
|
D:ILE242
|
3.3
|
29.1
|
1.0
|
CD2
|
D:HIS240
|
3.4
|
25.1
|
1.0
|
NE2
|
D:HIS289
|
3.5
|
25.7
|
1.0
|
NE2
|
F:HIS99
|
3.6
|
26.3
|
1.0
|
CE1
|
F:HIS134
|
3.7
|
26.3
|
1.0
|
O
|
F:HOH665
|
3.8
|
22.9
|
1.0
|
CG2
|
D:ILE242
|
3.8
|
27.7
|
1.0
|
CG
|
F:ASP97
|
3.8
|
29.3
|
1.0
|
CD2
|
D:HIS289
|
3.9
|
26.0
|
1.0
|
CB
|
D:ILE242
|
3.9
|
27.9
|
1.0
|
CD2
|
F:HIS99
|
4.3
|
26.4
|
1.0
|
CA
|
D:ILE242
|
4.3
|
27.4
|
1.0
|
OD1
|
F:ASP97
|
4.3
|
28.2
|
1.0
|
CE1
|
D:HIS240
|
4.5
|
25.2
|
1.0
|
CD2
|
F:HIS134
|
4.5
|
25.8
|
1.0
|
CE1
|
D:HIS289
|
4.5
|
26.6
|
1.0
|
CE1
|
F:HIS99
|
4.6
|
26.3
|
1.0
|
CG
|
D:HIS240
|
4.6
|
24.2
|
1.0
|
CB
|
F:ASP97
|
4.9
|
28.8
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 6qpu
Go back to
Chlorine Binding Sites List in 6qpu
Chlorine binding site 6 out
of 6 in the Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of As Isolated Synthetic Core Domain of Nitrite Reductase From Ralstonia Pickettii (Residues 1-331) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl503
b:49.1
occ:1.00
|
CU
|
E:CU502
|
2.2
|
27.1
|
1.0
|
OD2
|
E:ASP97
|
2.5
|
25.4
|
1.0
|
NE2
|
E:HIS134
|
3.3
|
24.0
|
1.0
|
CG1
|
F:ILE242
|
3.3
|
25.4
|
1.0
|
NE2
|
E:HIS99
|
3.4
|
22.6
|
1.0
|
CG
|
E:ASP97
|
3.5
|
25.5
|
1.0
|
NE2
|
F:HIS289
|
3.6
|
23.3
|
1.0
|
NE2
|
F:HIS240
|
3.7
|
23.8
|
1.0
|
CD2
|
F:HIS240
|
3.7
|
23.4
|
1.0
|
CD1
|
F:ILE242
|
3.8
|
25.6
|
1.0
|
CE1
|
E:HIS134
|
3.8
|
24.3
|
1.0
|
O
|
F:HOH645
|
3.8
|
20.7
|
1.0
|
OD1
|
E:ASP97
|
4.0
|
26.1
|
1.0
|
CD2
|
F:HIS289
|
4.0
|
23.2
|
1.0
|
CG2
|
F:ILE242
|
4.0
|
25.3
|
1.0
|
CD2
|
E:HIS99
|
4.0
|
23.1
|
1.0
|
CB
|
F:ILE242
|
4.0
|
25.3
|
1.0
|
CA
|
F:ILE242
|
4.3
|
24.6
|
1.0
|
CD2
|
E:HIS134
|
4.5
|
23.5
|
1.0
|
CE1
|
E:HIS99
|
4.6
|
22.8
|
1.0
|
CB
|
E:ASP97
|
4.7
|
25.3
|
1.0
|
CE1
|
F:HIS289
|
4.7
|
23.2
|
1.0
|
CE1
|
F:HIS240
|
4.7
|
23.8
|
1.0
|
CG
|
F:HIS240
|
4.8
|
23.3
|
1.0
|
N
|
F:ILE242
|
5.0
|
24.3
|
1.0
|
|
Reference:
T.M.Hedison,
R.T.Shenoy,
A.I.Iorgu,
D.J.Heyes,
K.Fisher,
G.Wright,
S.Hay,
R.R.Eady,
S.S.Hasnain,
N.S.Scrutton.
Unexpected Roles of A Tether Harboring A Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis Acs Catalysis 2019.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.9B01266
Page generated: Mon Jul 29 14:06:45 2024
|