Zinc in PDB 4pv5: Crystal Structure of Mouse Glyoxalase I in Complexed with 18-Beta- Glycyrrhetinic Acid

All present enzymatic activity of Crystal Structure of Mouse Glyoxalase I in Complexed with 18-Beta- Glycyrrhetinic Acid:
4.4.1.5;

The structure of Crystal Structure of Mouse Glyoxalase I in Complexed with 18-Beta- Glycyrrhetinic Acid, PDB code: 4pv5 was solved by H.Zhang, J.Zhai, L.Zhang, Y.Zhao, C.Li, X.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.26 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.825, 64.819, 63.483, 90.00, 104.09, 90.00
R / Rfree (%)	17.7 / 24.7

The binding sites of Zinc atom in the Crystal Structure of Mouse Glyoxalase I in Complexed with 18-Beta- Glycyrrhetinic Acid (pdb code 4pv5). 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 in Complexed with 18-Beta- Glycyrrhetinic Acid, PDB code: 4pv5:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Mouse Glyoxalase I in Complexed with 18-Beta- Glycyrrhetinic Acid


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 in Complexed with 18-Beta- Glycyrrhetinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:20.7 occ:1.00 OE1 A:GLU100 1.9 22.2 1.0 O A:HOH341 2.0 27.5 1.0 NE2 A:GLN34 2.0 15.2 1.0 NE2 B:HIS127 2.1 14.8 1.0 OE2 B:GLU173 2.3 23.6 1.0 CD A:GLU100 2.8 17.1 1.0 OE2 A:GLU100 3.0 30.9 1.0 CE1 B:HIS127 3.0 13.6 1.0 CD A:GLN34 3.0 16.9 1.0 CD2 B:HIS127 3.1 14.6 1.0 OE1 A:GLN34 3.3 16.5 1.0 CD B:GLU173 3.4 22.9 1.0 OE1 B:GLU173 3.9 35.1 1.0 ND1 B:HIS127 4.2 17.8 1.0 CG A:GLU100 4.2 14.6 1.0 CG B:HIS127 4.2 15.2 1.0 CB A:MET36 4.4 16.4 1.0 CG A:MET36 4.4 9.5 1.0 CG A:GLN34 4.4 14.5 1.0 CG B:GLU173 4.6 15.2 1.0 CB B:GLU173 4.6 13.4 1.0 CB A:GLU100 4.7 14.8 1.0 CZ B:PHE163 4.9 17.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Mouse Glyoxalase I in Complexed with 18-Beta- Glycyrrhetinic Acid


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 in Complexed with 18-Beta- Glycyrrhetinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:27.4 occ:1.00 OE1 B:GLU100 2.0 24.0 1.0 OE1 B:GLN34 2.0 25.3 1.0 NE2 A:HIS127 2.1 16.8 1.0 O A:HOH330 2.3 19.9 1.0 OE2 A:GLU173 2.5 27.6 1.0 CD B:GLU100 2.9 19.5 1.0 CE1 A:HIS127 2.9 14.6 1.0 CD B:GLN34 3.1 22.6 1.0 OE2 B:GLU100 3.1 25.8 1.0 CD2 A:HIS127 3.2 16.3 1.0 NE2 B:GLN34 3.6 32.1 1.0 CD A:GLU173 3.7 29.0 1.0 ND1 A:HIS127 4.1 20.3 1.0 OE1 A:GLU173 4.3 31.4 1.0 CG A:HIS127 4.3 19.1 1.0 CG B:GLU100 4.3 22.6 1.0 CG B:GLN34 4.3 16.0 1.0 CB B:MET36 4.4 13.0 1.0 CG B:MET36 4.5 16.7 1.0 CB B:GLU100 4.7 18.0 1.0 CB A:GLU173 4.8 17.6 1.0 CG A:GLU173 4.8 19.2 1.0

H.Zhang, J.Zhai, L.Zhang, Y.Zhao, Y.Chen, Q.Li, X.Hu. Structure Basis For Inhibition of 18-Beta-Glycyrrhetinic Acid Towards Glyoxalase I Supports the Existence of A Novel Class Inhibitors To Be Published.