Chlorine in PDB 6i0k: Structure of Quinolinate Synthase in Complex with 4-Mercaptophthalic Acid

Enzymatic activity of Structure of Quinolinate Synthase in Complex with 4-Mercaptophthalic Acid

All present enzymatic activity of Structure of Quinolinate Synthase in Complex with 4-Mercaptophthalic Acid:
2.5.1.72;

Protein crystallography data

The structure of Structure of Quinolinate Synthase in Complex with 4-Mercaptophthalic Acid, PDB code: 6i0k 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)*	46.80 / 1.64
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	55.700, 48.380, 60.640, 90.00, 107.66, 90.00
*R / R_free (%)*	15.6 / 20.6

Other elements in 6i0k:

The structure of Structure of Quinolinate Synthase in Complex with 4-Mercaptophthalic Acid also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Quinolinate Synthase in Complex with 4-Mercaptophthalic Acid (pdb code 6i0k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Quinolinate Synthase in Complex with 4-Mercaptophthalic Acid, PDB code: 6i0k:

Chlorine binding site 1 out of 1 in 6i0k

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Chlorine Binding Sites List in 6i0k

Chlorine binding site 1 out of 1 in the Structure of Quinolinate Synthase in Complex with 4-Mercaptophthalic Acid

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Quinolinate Synthase in Complex with 4-Mercaptophthalic Acid within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl304 b:51.6 occ:1.00	O	A:HOH571	3.0	52.7	1.0
	N	A:ASP69	3.4	31.2	1.0
	C	A:ASN67	3.5	30.8	1.0
	CA	A:ASN67	3.6	30.4	1.0
	CB	A:ASP69	3.8	40.0	1.0
	NZ	A:LYS70	3.8	36.4	1.0
	N	A:PRO68	3.8	29.8	1.0
	CD	A:PRO68	3.9	30.3	1.0
	O	A:ASN67	4.0	28.1	1.0
	CA	A:ASP69	4.0	33.7	1.0
	N	A:LYS70	4.0	28.0	1.0
	CG	A:LYS70	4.1	30.3	1.0
	CB	A:ASN67	4.2	29.7	1.0
	C	A:ASP69	4.3	31.8	1.0
	C	A:PRO68	4.5	29.1	1.0
	CG	A:ASP69	4.5	46.9	1.0
	CG	A:PRO68	4.5	32.7	1.0
	CA	A:PRO68	4.7	30.1	1.0
	OD2	A:ASP69	4.7	56.7	1.0
	OD1	A:ASN67	4.7	34.0	1.0
	CE	A:LYS70	4.7	33.2	1.0
	CD	A:LYS70	4.8	30.2	1.0
	N	A:ASN67	4.9	28.6	1.0
	CB	A:LYS70	4.9	29.9	1.0
	CG	A:ASN67	4.9	29.8	1.0
	O	A:LEU66	5.0	31.8	1.0

Reference:

J.Saez Cabodevilla, A.Volbeda, O.Hamelin, J.M.Latour, O.Gigarel, M.Clemancey, C.Darnault, D.Reichmann, P.Amara, J.C.Fontecilla-Camps, S.Ollagnier De Choudens. Design of Specific Inhibitors of Quinolinate Synthase Based on [4FE-4S] Cluster Coordination. Chem.Commun.(Camb.) V. 55 3725 2019.
ISSN: ESSN 1364-548X
PubMed: 30855610
DOI: 10.1039/C8CC09023H

Page generated: Sat Jul 12 15:36:02 2025

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