Chlorine in PDB 6f4d: Structure of the Y21F Variant of Quinolinate Synthase in Complex with Pgh

All present enzymatic activity of Structure of the Y21F Variant of Quinolinate Synthase in Complex with Pgh:
2.5.1.72;

The structure of Structure of the Y21F Variant of Quinolinate Synthase in Complex with Pgh, PDB code: 6f4d was solved by A.Volbeda, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.15 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.970, 49.170, 69.390, 90.00, 107.79, 90.00
R / Rfree (%)	19.2 / 24.1

The structure of Structure of the Y21F Variant of Quinolinate Synthase in Complex with Pgh also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Structure of the Y21F Variant of Quinolinate Synthase in Complex with Pgh (pdb code 6f4d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Y21F Variant of Quinolinate Synthase in Complex with Pgh, PDB code: 6f4d:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Y21F Variant of Quinolinate Synthase in Complex with Pgh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Y21F Variant of Quinolinate Synthase in Complex with Pgh within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:53.0 occ:0.50 CL A:CL305 0.0 53.0 0.5 CL A:CL305 2.0 47.5 0.5 NE A:ARG219 3.8 35.3 1.0 NH2 A:ARG219 4.0 35.5 1.0 CE1 A:TYR206 4.3 28.6 1.0 CZ A:ARG219 4.4 36.5 1.0 CD A:ARG219 4.8 34.2 1.0 OH A:TYR206 4.9 30.4 1.0

Chlorine binding site 2 out of 2 in the Structure of the Y21F Variant of Quinolinate Synthase in Complex with Pgh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Y21F Variant of Quinolinate Synthase in Complex with Pgh within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:47.5 occ:0.50 CL A:CL305 0.0 47.5 0.5 CL A:CL305 2.0 53.0 0.5 NH2 A:ARG219 3.1 35.5 1.0 CE1 A:TYR206 3.8 28.6 1.0 CZ A:ARG219 4.0 36.5 1.0 NE A:ARG219 4.0 35.3 1.0 CD1 A:TYR206 4.1 28.0 1.0 O A:HOH545 4.5 40.4 1.0 O A:HOH528 4.8 31.4 1.0

A.Volbeda, J.Saez Cabodevilla, C.Darnault, O.Gigarel, T.H.Han, O.Renoux, O.Hamelin, S.Ollagnier-De-Choudens, P.Amara, J.C.Fontecilla-Camps. Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis By Nada. Acs Chem. Biol. V. 13 1209 2018.
ISSN: ESSN 1554-8937
PubMed: 29641168
DOI: 10.1021/ACSCHEMBIO.7B01104