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

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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

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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

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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

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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

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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

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