Chlorine in PDB 4kyk: Crystal Structure of Mouse Glyoxalase I Complexed with Indomethacin

Enzymatic activity of Crystal Structure of Mouse Glyoxalase I Complexed with Indomethacin

All present enzymatic activity of Crystal Structure of Mouse Glyoxalase I Complexed with Indomethacin:
4.4.1.5;

Protein crystallography data

The structure of Crystal Structure of Mouse Glyoxalase I Complexed with Indomethacin, PDB code: 4kyk was solved by J.Zhai, M.Yuan, L.Zhang, Y.Chen, H.Zhang, S.Chen, Y.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	22.78 / 2.00
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	41.865, 65.396, 64.912, 90.00, 101.39, 90.00
*R / R_free (%)*	19.9 / 25.7

Other elements in 4kyk:

The structure of Crystal Structure of Mouse Glyoxalase I Complexed with Indomethacin also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mouse Glyoxalase I Complexed with Indomethacin (pdb code 4kyk). 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 Crystal Structure of Mouse Glyoxalase I Complexed with Indomethacin, PDB code: 4kyk:

Chlorine binding site 1 out of 1 in 4kyk

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Chlorine Binding Sites List in 4kyk

Chlorine binding site 1 out of 1 in the Crystal Structure of Mouse Glyoxalase I Complexed with Indomethacin

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 Mouse Glyoxalase I Complexed with Indomethacin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl300 b:42.0 occ:1.00	CL	B:IMN300	0.0	42.0	1.0
	C13	B:IMN300	1.7	35.2	1.0
	C12	B:IMN300	2.7	27.8	1.0
	C14	B:IMN300	2.7	31.3	1.0
	CZ	A:PHE93	3.7	24.9	1.0
	CZ	A:PHE63	3.9	27.4	1.0
	C11	B:IMN300	4.0	31.0	1.0
	C15	B:IMN300	4.0	34.8	1.0
	CD1	A:LEU70	4.1	19.0	1.0
	CD1	B:ILE180	4.1	25.3	1.0
	CG2	B:ILE180	4.1	30.7	1.0
	CE1	A:PHE93	4.2	28.1	1.0
	O	A:HOH334	4.3	28.8	1.0
	CD2	A:LEU61	4.4	19.3	1.0
	CE2	A:PHE93	4.5	21.8	1.0
	C10	B:IMN300	4.5	30.4	1.0
	CE1	A:PHE63	4.6	25.5	1.0
	CE2	A:PHE63	4.7	26.3	1.0
	CG1	B:ILE184	4.8	41.8	1.0
	CD1	B:ILE184	4.9	38.2	1.0

Reference:

J.Zhai, H.Zhang, L.Zhang, Y.Zhao, S.Chen, Y.Chen, X.Peng, Q.Li, M.Yuan, X.Hu. Zopolrestat As A Human Glyoxalase I Inhibitor and Its Structural Basis Chemmedchem 2013.
ISSN: ESSN 1860-7187
PubMed: 23857942
DOI: 10.1002/CMDC.201300243

Page generated: Fri Jul 11 18:04:52 2025

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