Zinc in PDB 2p18: Crystal Structure of the Leishmania Infantum Glyoxalase II

All present enzymatic activity of Crystal Structure of the Leishmania Infantum Glyoxalase II:
3.1.2.6;

The structure of Crystal Structure of the Leishmania Infantum Glyoxalase II, PDB code: 2p18 was solved by J.Trincao, L.Barata, S.Najmudin, C.Bonifacio, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.38 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	66.705, 88.989, 85.864, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19.6

The binding sites of Zinc atom in the Crystal Structure of the Leishmania Infantum Glyoxalase II (pdb code 2p18). 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 the Leishmania Infantum Glyoxalase II, PDB code: 2p18:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Leishmania Infantum Glyoxalase II


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 the Leishmania Infantum Glyoxalase II within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:19.1 occ:1.00 O A:HOH1023 2.0 21.6 1.0 NE2 A:HIS210 2.1 22.7 1.0 NE2 A:HIS81 2.1 22.4 1.0 OD2 A:ASP164 2.1 25.6 1.0 OD2 A:ASP80 2.3 20.1 1.0 O A:ACY1022 2.4 34.7 1.0 CE1 A:HIS210 3.0 22.6 1.0 CG A:ASP164 3.0 24.2 1.0 CD2 A:HIS81 3.0 22.5 1.0 CE1 A:HIS81 3.1 24.1 1.0 CD2 A:HIS210 3.1 21.8 1.0 CG A:ASP80 3.2 24.2 1.0 OD1 A:ASP164 3.3 23.9 1.0 ZN A:ZN302 3.3 17.6 1.0 C A:ACY1022 3.4 34.7 1.0 OD1 A:ASP80 3.5 23.4 1.0 OXT A:ACY1022 3.6 34.0 1.0 O A:HOH1060 3.7 21.5 1.0 ND2 A:ASN24 4.0 22.7 1.0 ND1 A:HIS210 4.1 23.7 1.0 NE2 A:HIS76 4.2 22.5 1.0 CG A:HIS81 4.2 23.6 1.0 ND1 A:HIS81 4.2 23.2 1.0 CG A:HIS210 4.2 22.3 1.0 CE1 A:HIS76 4.3 24.1 1.0 CB A:ASP164 4.4 21.2 1.0 CB A:ASP80 4.5 22.7 1.0 CH3 A:ACY1022 4.7 34.6 1.0 NE2 A:HIS139 4.9 23.0 1.0 CG A:ASN24 5.0 22.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Leishmania Infantum Glyoxalase II


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 the Leishmania Infantum Glyoxalase II within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:17.6 occ:1.00 O A:HOH1023 2.0 21.6 1.0 NE2 A:HIS139 2.1 23.0 1.0 ND1 A:HIS78 2.1 23.8 1.0 NE2 A:HIS76 2.2 22.5 1.0 OXT A:ACY1022 2.5 34.0 1.0 OD2 A:ASP164 2.5 25.6 1.0 CD2 A:HIS139 3.0 22.3 1.0 CE1 A:HIS78 3.0 25.9 1.0 CD2 A:HIS76 3.1 22.0 1.0 CE1 A:HIS139 3.1 23.4 1.0 CG A:HIS78 3.2 22.6 1.0 CE1 A:HIS76 3.3 24.1 1.0 ZN A:ZN301 3.3 19.1 1.0 CG A:ASP164 3.4 24.2 1.0 C A:ACY1022 3.5 34.7 1.0 CB A:HIS78 3.5 22.2 1.0 O A:ACY1022 3.6 34.7 1.0 CB A:ASP164 3.7 21.2 1.0 NE2 A:HIS81 4.0 22.4 1.0 CD2 A:HIS81 4.1 22.5 1.0 CG A:HIS139 4.2 23.1 1.0 ND1 A:HIS139 4.2 24.4 1.0 NE2 A:HIS78 4.2 23.8 1.0 O A:HOH1060 4.2 21.5 1.0 CD2 A:HIS78 4.3 23.6 1.0 CG A:HIS76 4.3 24.1 1.0 ND1 A:HIS76 4.3 24.1 1.0 OD1 A:ASP164 4.5 23.9 1.0 OD1 A:ASP80 4.5 23.4 1.0 CH3 A:ACY1022 4.8 34.6 1.0 OD2 A:ASP80 4.8 20.1 1.0 CE1 A:HIS81 5.0 24.1 1.0 CA A:HIS78 5.0 21.8 1.0

M.S.Silva, L.Barata, A.E.Ferreira, S.Romao, A.M.Tomas, A.P.Freire, C.Cordeiro. Catalysis and Structural Properties of Leishmania Infantum Glyoxalase II: Trypanothione Specificity and Phylogeny. Biochemistry V. 47 195 2008.
ISSN: ISSN 0006-2960
PubMed: 18052346
DOI: 10.1021/BI700989M