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Chlorine in PDB 4zk6: Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States

Enzymatic activity of Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States

All present enzymatic activity of Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States:
2.5.1.72;

Protein crystallography data

The structure of Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States, PDB code: 4zk6 was solved by O.A.Esakova, T.L.Grove, A.H.Saunders, N.H.Yennawar, S.J.Booker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.59 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 52.562, 51.588, 97.541, 90.00, 94.95, 90.00
R / Rfree (%) 18.4 / 23.1

Other elements in 4zk6:

The structure of Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States also contains other interesting chemical elements:

Iron (Fe) 8 atoms
Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States (pdb code 4zk6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States, PDB code: 4zk6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4zk6

Go back to Chlorine Binding Sites List in 4zk6
Chlorine binding site 1 out of 2 in the Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:31.2
occ:1.00
NA A:NA405 2.5 29.7 0.5
N A:THR213 3.0 19.1 1.0
NE2 A:HIS196 3.1 16.0 1.0
C4 A:NTM402 3.2 27.9 1.0
CB A:SER212 3.3 27.2 1.0
OG1 A:THR213 3.3 19.5 1.0
C8 A:NTM402 3.5 31.0 1.0
CA A:SER212 3.7 22.3 1.0
CG2 A:THR213 3.7 20.3 1.0
O3 A:NTM402 3.7 31.8 1.0
O4 A:NTM402 3.7 30.7 1.0
C A:SER212 3.8 20.1 1.0
CB A:THR213 3.8 19.6 1.0
C3 A:NTM402 3.8 29.3 1.0
OG A:SER212 3.9 30.6 1.0
NA A:NA404 3.9 19.6 0.5
CD2 A:HIS196 3.9 13.4 1.0
CA A:THR213 4.0 18.6 1.0
CB A:ASP37 4.0 16.7 1.0
CE1 A:HIS196 4.2 18.5 1.0
C5 A:NTM402 4.2 27.4 1.0
CB A:SER126 4.3 22.0 1.0
OD2 A:ASP37 4.4 33.6 1.0
OH A:TYR109 4.6 37.9 1.0
N A:GLY214 4.6 20.3 1.0
CG A:ASP37 4.7 28.6 1.0
OG A:SER126 4.7 26.1 1.0
C A:THR213 4.9 17.3 1.0

Chlorine binding site 2 out of 2 in 4zk6

Go back to Chlorine Binding Sites List in 4zk6
Chlorine binding site 2 out of 2 in the Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystallographic Capture of Quinolinate Synthase (Nada) From Pyrococcus Horikoshii in Its Substrates and Product-Bound States within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:33.6
occ:1.00
NA B:NA405 2.4 20.7 0.5
NA B:NA406 3.0 23.9 0.5
OG B:SER126 3.0 27.6 1.0
N B:THR213 3.2 21.8 1.0
CB B:SER212 3.2 29.0 1.0
NE2 B:HIS196 3.2 28.7 1.0
O3 B:NTM402 3.3 28.3 0.9
C4 B:NTM402 3.3 29.4 0.9
C8 B:NTM402 3.3 29.2 0.9
CA B:SER212 3.5 27.1 1.0
OG1 B:THR213 3.6 27.8 1.0
O4 B:NTM402 3.7 30.5 0.9
C3 B:NTM402 3.8 29.4 0.9
C B:SER212 3.8 26.9 1.0
CB B:ASP37 3.9 23.1 1.0
CD2 B:HIS196 4.1 20.6 1.0
OD2 B:ASP37 4.1 34.1 1.0
CG2 B:THR213 4.1 23.0 1.0
O B:HOH521 4.1 33.5 1.0
CE1 B:HIS196 4.2 27.5 1.0
CB B:THR213 4.2 23.3 1.0
OG B:SER212 4.2 29.4 1.0
CA B:THR213 4.2 21.3 1.0
C5 B:NTM402 4.4 29.3 0.9
CG B:ASP37 4.4 31.5 1.0
CB B:SER126 4.5 24.6 1.0
N B:GLY214 4.7 24.0 1.0
N B:SER212 4.9 27.2 1.0

Reference:

O.A.Esakova, A.Silakov, T.L.Grove, A.H.Saunders, M.I.Mclaughlin, N.H.Yennawar, S.J.Booker. Structure of Quinolinate Synthase From Pyrococcus Horikoshii in the Presence of Its Product, Quinolinic Acid. J.Am.Chem.Soc. V. 138 7224 2016.
ISSN: ESSN 1520-5126
PubMed: 27224840
DOI: 10.1021/JACS.6B02708
Page generated: Sat Dec 12 11:28:29 2020

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