Zinc in PDB 2za0: Crystal Structure of Mouse Glyoxalase I Complexed with Methyl-Gerfelin

All present enzymatic activity of Crystal Structure of Mouse Glyoxalase I Complexed with Methyl-Gerfelin:
4.4.1.5;

The structure of Crystal Structure of Mouse Glyoxalase I Complexed with Methyl-Gerfelin, PDB code: 2za0 was solved by H.Okumura, M.Kawatani, H.Osada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.38 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.982, 65.314, 66.159, 90.00, 101.18, 90.00
R / Rfree (%)	18.5 / 21.5

The binding sites of Zinc atom in the Crystal Structure of Mouse Glyoxalase I Complexed with Methyl-Gerfelin (pdb code 2za0). 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 Methyl-Gerfelin, PDB code: 2za0:
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 Methyl-Gerfelin


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 Methyl-Gerfelin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:15.5 occ:0.32 OE1 B:GLU100 2.1 15.6 1.0 OE1 B:GLN34 2.1 15.0 1.0 OE1 A:GLU173 2.2 13.9 1.0 NE2 A:HIS127 2.2 8.4 1.0 O5 A:MGI300 2.2 12.9 0.9 O6 A:MGI300 2.3 13.3 0.9 CD B:GLU100 2.9 14.7 1.0 CE1 A:HIS127 3.0 7.9 1.0 C11 A:MGI300 3.0 14.0 0.9 C12 A:MGI300 3.0 15.4 0.9 CD A:GLU173 3.1 12.5 1.0 CD B:GLN34 3.1 13.3 1.0 OE2 B:GLU100 3.1 17.0 1.0 CD2 A:HIS127 3.3 8.9 1.0 OE2 A:GLU173 3.3 13.5 1.0 NE2 B:GLN34 3.5 13.3 1.0 ND1 A:HIS127 4.2 6.6 1.0 CG B:GLU100 4.3 10.8 1.0 CG A:HIS127 4.4 5.6 1.0 C10 A:MGI300 4.4 15.3 0.9 CG A:GLU173 4.4 9.2 1.0 C13 A:MGI300 4.4 14.2 0.9 CG B:GLN34 4.5 11.4 1.0 CB A:GLU173 4.5 6.7 1.0 CB B:MET36 4.7 7.9 1.0 CB B:GLU100 4.7 7.8 1.0 CG B:MET36 4.8 8.2 1.0 O4 A:MGI300 4.9 15.5 0.9

Zinc binding site 2 out of 2 in the Crystal Structure of Mouse Glyoxalase I Complexed with Methyl-Gerfelin


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 Methyl-Gerfelin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:14.5 occ:0.37 OE1 A:GLU100 2.0 13.1 1.0 OE1 A:GLN34 2.1 13.0 1.0 OE1 B:GLU173 2.1 10.8 1.0 O6 A:MGI400 2.2 15.0 1.0 O5 A:MGI400 2.3 12.4 1.0 NE2 B:HIS127 2.3 7.2 1.0 CD A:GLU100 2.9 12.0 1.0 C12 A:MGI400 3.0 12.1 1.0 C11 A:MGI400 3.0 14.1 1.0 CD A:GLN34 3.0 9.5 1.0 CD B:GLU173 3.1 11.8 1.0 CE1 B:HIS127 3.1 10.1 1.0 OE2 A:GLU100 3.3 15.4 1.0 CD2 B:HIS127 3.3 8.2 1.0 NE2 A:GLN34 3.3 10.4 1.0 OE2 B:GLU173 3.4 14.4 1.0 ND1 B:HIS127 4.3 9.3 1.0 CG A:GLU100 4.3 10.3 1.0 C10 A:MGI400 4.3 12.7 1.0 C13 A:MGI400 4.3 14.0 1.0 CG B:GLU173 4.4 10.4 1.0 CG A:GLN34 4.4 8.2 1.0 CG B:HIS127 4.4 8.0 1.0 CB B:GLU173 4.5 8.9 1.0 CB A:MET36 4.6 7.4 1.0 CB A:GLU100 4.7 8.2 1.0 CG A:MET36 4.8 9.4 1.0 O4 A:MGI400 4.9 14.9 1.0 CZ B:PHE163 4.9 12.9 1.0

M.Kawatani, H.Okumura, K.Honda, N.Kanoh, M.Muroi, N.Dohmae, M.Takami, M.Kitagawa, Y.Futamura, M.Imoto, H.Osada. The Identification of An Osteoclastogenesis Inhibitor Through the Inhibition of Glyoxalase I Proc.Natl.Acad.Sci.Usa V. 105 11691 2008.
ISSN: ISSN 0027-8424
PubMed: 18695250
DOI: 10.1073/PNAS.0712239105