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:

Copper (Cu) 12 atoms

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: Sat Dec 12 13:34:24 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy