Zinc in PDB 2p1e: Crystal Structure of the Leishmania Infantum Glyoxalase II with D- Lactate at the Active Site

All present enzymatic activity of Crystal Structure of the Leishmania Infantum Glyoxalase II with D- Lactate at the Active Site:
3.1.2.6;

The structure of Crystal Structure of the Leishmania Infantum Glyoxalase II with D- Lactate at the Active Site, PDB code: 2p1e 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)	53.61 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	67.172, 89.121, 85.980, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 22

The binding sites of Zinc atom in the Crystal Structure of the Leishmania Infantum Glyoxalase II with D- Lactate at the Active Site (pdb code 2p1e). 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 with D- Lactate at the Active Site, PDB code: 2p1e:
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 with D- Lactate at the Active Site


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 with D- Lactate at the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:21.8 occ:1.00 NE2 A:HIS81 2.0 22.5 1.0 NE2 A:HIS210 2.0 24.9 1.0 OD2 A:ASP164 2.1 27.4 1.0 OXT A:LAC303 2.1 27.9 1.0 OD2 A:ASP80 2.6 31.2 1.0 O2 A:LAC303 2.7 30.0 1.0 CG A:ASP164 2.8 25.0 1.0 OD1 A:ASP164 2.9 24.3 1.0 C1 A:LAC303 2.9 29.4 1.0 CE1 A:HIS210 3.0 24.9 1.0 CE1 A:HIS81 3.0 25.4 1.0 CD2 A:HIS81 3.0 25.3 1.0 CD2 A:HIS210 3.1 24.0 1.0 C2 A:LAC303 3.5 29.5 1.0 CG A:ASP80 3.5 31.0 1.0 O A:HOH348 3.6 33.5 1.0 ZN A:ZN302 3.6 20.2 1.0 O1 A:LAC303 3.7 33.0 1.0 OD1 A:ASP80 3.8 33.5 1.0 ND1 A:HIS210 4.1 25.4 1.0 ND1 A:HIS81 4.1 25.0 1.0 CG A:HIS81 4.2 26.8 1.0 CG A:HIS210 4.2 24.2 1.0 OD1 A:ASN24 4.3 28.2 1.0 C3 A:LAC303 4.3 30.4 1.0 CB A:ASP164 4.3 23.5 1.0 NE2 A:HIS76 4.4 24.1 1.0 CE1 A:HIS76 4.5 29.9 1.0 CB A:ASP80 4.9 26.2 1.0 NE2 A:HIS139 5.0 24.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Leishmania Infantum Glyoxalase II with D- Lactate at the Active Site


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 with D- Lactate at the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:20.2 occ:1.00 NE2 A:HIS139 2.1 24.6 1.0 ND1 A:HIS78 2.1 27.3 1.0 NE2 A:HIS76 2.2 24.1 1.0 O2 A:LAC303 2.3 30.0 1.0 OD2 A:ASP164 2.4 27.4 1.0 O1 A:LAC303 2.9 33.0 1.0 CD2 A:HIS139 2.9 23.2 1.0 C2 A:LAC303 3.0 29.5 1.0 C1 A:LAC303 3.0 29.4 1.0 CD2 A:HIS76 3.0 24.0 1.0 CE1 A:HIS78 3.1 25.6 1.0 CE1 A:HIS139 3.1 24.6 1.0 CG A:HIS78 3.2 25.2 1.0 CE1 A:HIS76 3.3 29.9 1.0 CG A:ASP164 3.4 25.0 1.0 CB A:HIS78 3.5 24.8 1.0 ZN A:ZN301 3.6 21.8 1.0 CB A:ASP164 3.7 23.5 1.0 OXT A:LAC303 3.7 27.9 1.0 CD2 A:HIS81 4.1 25.3 1.0 NE2 A:HIS81 4.1 22.5 1.0 CG A:HIS139 4.1 23.2 1.0 ND1 A:HIS139 4.2 25.7 1.0 NE2 A:HIS78 4.2 24.7 1.0 CG A:HIS76 4.3 27.9 1.0 CD2 A:HIS78 4.3 25.3 1.0 ND1 A:HIS76 4.4 27.9 1.0 OD1 A:ASP164 4.4 24.3 1.0 O A:HOH348 4.4 33.5 1.0 C3 A:LAC303 4.5 30.4 1.0 OD1 A:ASP80 4.6 33.5 1.0 CA A:HIS78 5.0 24.2 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