Zinc in PDB 4x2a: Crystal Structure of Mouse Glyoxalase I Complexed with Baicalein

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

The structure of Crystal Structure of Mouse Glyoxalase I Complexed with Baicalein, PDB code: 4x2a was solved by H.Zhang, J.Zhai, L.Zhang, C.Li, Y.Zhao, X.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.67 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.501, 64.502, 63.152, 90.00, 104.79, 90.00
R / Rfree (%)	17.1 / 21.8

The binding sites of Zinc atom in the Crystal Structure of Mouse Glyoxalase I Complexed with Baicalein (pdb code 4x2a). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Mouse Glyoxalase I Complexed with Baicalein, PDB code: 4x2a:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Mouse Glyoxalase I Complexed with Baicalein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Mouse Glyoxalase I Complexed with Baicalein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:17.2 occ:1.00 OE1 B:GLU100 2.0 16.1 1.0 O3 A:3WL203 2.0 18.4 1.0 O2 A:3WL203 2.1 17.3 1.0 OE1 B:GLN34 2.1 16.0 1.0 NE2 A:HIS127 2.1 15.0 1.0 OE1 A:GLU173 2.4 19.4 1.0 C11 A:3WL203 2.8 22.3 1.0 C12 A:3WL203 2.8 23.4 1.0 CD B:GLU100 3.0 16.0 1.0 CD2 A:HIS127 3.1 12.0 1.0 CD B:GLN34 3.1 16.8 1.0 CE1 A:HIS127 3.1 14.7 1.0 CD A:GLU173 3.3 16.3 1.0 OE2 B:GLU100 3.3 21.1 1.0 NE2 B:GLN34 3.5 18.1 1.0 OE2 A:GLU173 3.5 23.1 1.0 C10 A:3WL203 4.2 26.0 1.0 C13 A:3WL203 4.2 25.4 1.0 ND1 A:HIS127 4.2 13.2 1.0 CG A:HIS127 4.2 13.4 1.0 CG B:GLU100 4.4 16.9 1.0 CG B:GLN34 4.4 13.9 1.0 CB B:MET36 4.5 13.6 1.0 CG A:GLU173 4.5 16.8 1.0 CG B:MET36 4.6 14.4 1.0 CB A:GLU173 4.7 18.9 1.0 O4 A:3WL203 4.7 22.0 1.0 CB B:GLU100 4.8 14.5 1.0 O A:HOH389 4.9 29.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Mouse Glyoxalase I Complexed with Baicalein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Mouse Glyoxalase I Complexed with Baicalein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn202 b:15.6 occ:1.00 OE2 A:GLU100 2.1 16.1 1.0 O2 B:3WL201 2.1 17.3 1.0 NE2 B:HIS127 2.1 13.2 1.0 O3 B:3WL201 2.1 15.7 1.0 OE1 A:GLN34 2.1 14.8 1.0 OE1 B:GLU173 2.3 17.9 1.0 C11 B:3WL201 2.8 24.0 1.0 C12 B:3WL201 2.8 20.4 1.0 CD A:GLU100 2.9 13.8 1.0 CE1 B:HIS127 3.1 15.8 1.0 CD2 B:HIS127 3.1 8.5 1.0 CD A:GLN34 3.1 11.3 1.0 OE1 A:GLU100 3.1 20.1 1.0 CD B:GLU173 3.2 19.9 1.0 OE2 B:GLU173 3.5 23.8 1.0 NE2 A:GLN34 3.5 9.9 1.0 ND1 B:HIS127 4.2 11.7 1.0 C13 B:3WL201 4.2 21.2 1.0 C10 B:3WL201 4.2 29.3 1.0 CG B:HIS127 4.2 11.3 1.0 CG A:GLU100 4.4 11.5 1.0 CB A:MET36 4.4 11.7 1.0 CG A:GLN34 4.4 6.3 1.0 CG B:GLU173 4.5 17.9 1.0 CB B:GLU173 4.6 15.3 1.0 CG A:MET36 4.6 11.4 1.0 O A:HOH365 4.7 21.0 1.0 CB A:GLU100 4.8 13.2 1.0 O4 B:3WL201 4.8 19.6 1.0

H.Zhang, J.Zhai, L.Zhang, C.Li, Y.Zhao, Y.Chen, Q.Li, X.P.Hu. In Vitro Inhibition of Glyoxalase І By Flavonoids: New Insights From Crystallographic Analysis. Curr Top Med Chem V. 16 460 2016.
ISSN: ESSN 1873-4294
PubMed: 26268338
DOI: 10.2174/1568026615666150813150944