Zinc in PDB 3e7f: Crystal Structure of 6-Phosphogluconolactonase From Trypanosoma Brucei Complexed with 6-Phosphogluconic Acid

All present enzymatic activity of Crystal Structure of 6-Phosphogluconolactonase From Trypanosoma Brucei Complexed with 6-Phosphogluconic Acid:
3.1.1.17;

The structure of Crystal Structure of 6-Phosphogluconolactonase From Trypanosoma Brucei Complexed with 6-Phosphogluconic Acid, PDB code: 3e7f was solved by L.Poggi, M.Delarue, N.Duclert-Savatier, V.Stoven, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.96 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.660, 87.000, 64.910, 90.00, 96.43, 90.00
R / Rfree (%)	17.4 / 24.9

The binding sites of Zinc atom in the Crystal Structure of 6-Phosphogluconolactonase From Trypanosoma Brucei Complexed with 6-Phosphogluconic Acid (pdb code 3e7f). 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 6-Phosphogluconolactonase From Trypanosoma Brucei Complexed with 6-Phosphogluconic Acid, PDB code: 3e7f:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of 6-Phosphogluconolactonase From Trypanosoma Brucei Complexed with 6-Phosphogluconic 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 6-Phosphogluconolactonase From Trypanosoma Brucei Complexed with 6-Phosphogluconic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:32.8 occ:1.00 OD1 A:ASP98 2.0 32.8 1.0 NE2 A:HIS56 2.0 31.6 1.0 NE2 A:HIS97 2.1 25.0 1.0 O A:HOH340 2.7 33.1 1.0 CD2 A:HIS56 2.9 31.2 1.0 CD2 A:HIS97 3.0 25.2 1.0 CG A:ASP98 3.0 32.1 1.0 CE1 A:HIS97 3.1 23.9 1.0 CE1 A:HIS56 3.1 31.7 1.0 OD2 A:ASP98 3.5 33.0 1.0 CG A:HIS56 4.1 31.1 1.0 ND1 A:HIS97 4.1 24.7 1.0 CG A:HIS97 4.1 23.2 1.0 ND1 A:HIS56 4.2 32.9 1.0 CB A:ASP98 4.2 25.6 1.0 O A:HOH322 4.5 43.5 1.0 O A:HOH432 4.7 47.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of 6-Phosphogluconolactonase From Trypanosoma Brucei Complexed with 6-Phosphogluconic 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 6-Phosphogluconolactonase From Trypanosoma Brucei Complexed with 6-Phosphogluconic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn300 b:31.5 occ:1.00 OD1 B:ASP98 2.0 29.6 1.0 NE2 B:HIS56 2.0 30.9 1.0 NE2 B:HIS97 2.1 25.6 1.0 O B:HOH408 2.9 40.6 1.0 CD2 B:HIS56 3.0 31.2 1.0 CE1 B:HIS56 3.0 30.9 1.0 CG B:ASP98 3.0 25.7 1.0 CE1 B:HIS97 3.0 25.5 1.0 CD2 B:HIS97 3.1 25.5 1.0 OD2 B:ASP98 3.5 27.1 1.0 ND1 B:HIS56 4.1 30.9 1.0 CG B:HIS56 4.1 28.6 1.0 ND1 B:HIS97 4.2 26.2 1.0 CG B:HIS97 4.2 24.5 1.0 CB B:ASP98 4.3 24.6 1.0 O B:HOH411 4.5 35.2 1.0 O B:HOH381 4.5 36.5 1.0

N.Duclert-Savatier, L.Poggi, E.Miclet, P.Lopes, J.Ouazzani, N.Chevalier, M.Nilges, M.Delarue, V.Stoven. Insights Into the Enzymatic Mechanism of 6-Phosphogluconolactonase From Trypanosoma Brucei Using Structural Data and Molecular Dynamics Simulation. J.Mol.Biol. V. 388 1009 2009.
ISSN: ISSN 0022-2836
PubMed: 19345229
DOI: 10.1016/J.JMB.2009.03.063