Zinc in PDB 8v37: Crystal Structure of Hpsn D352A Mutant From Cupriavidus Pinatubonensis in Complex with Nad+

The structure of Crystal Structure of Hpsn D352A Mutant From Cupriavidus Pinatubonensis in Complex with Nad+, PDB code: 8v37 was solved by M.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.21 / 2.23
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.784, 88.348, 134.11, 90, 90, 90
R / Rfree (%)	21.2 / 25.8

The binding sites of Zinc atom in the Crystal Structure of Hpsn D352A Mutant From Cupriavidus Pinatubonensis in Complex with Nad+ (pdb code 8v37). 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 Hpsn D352A Mutant From Cupriavidus Pinatubonensis in Complex with Nad+, PDB code: 8v37:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Hpsn D352A Mutant From Cupriavidus Pinatubonensis in Complex with Nad+


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 Hpsn D352A Mutant From Cupriavidus Pinatubonensis in Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:38.5 occ:1.00 NE2 B:HIS411 2.1 38.1 1.0 NE2 A:HIS251 2.1 44.0 1.0 NE2 A:HIS126 2.1 37.9 1.0 OE1 A:GLN248 2.2 39.8 1.0 O B:HOH672 2.2 32.7 1.0 O A:HOH663 2.3 38.1 1.0 CE1 B:HIS411 3.0 39.1 1.0 CE1 A:HIS251 3.0 45.1 1.0 CD2 A:HIS126 3.1 38.3 1.0 CD A:GLN248 3.2 41.8 1.0 CE1 A:HIS126 3.2 39.4 1.0 CD2 B:HIS411 3.2 38.4 1.0 CD2 A:HIS251 3.2 46.0 1.0 NE2 A:GLN248 3.4 40.8 1.0 ND1 B:HIS411 4.1 39.0 1.0 OG A:SER226 4.1 69.6 1.0 ND1 A:HIS251 4.1 45.2 1.0 CG B:HIS411 4.2 38.5 1.0 CG A:HIS126 4.2 39.1 1.0 ND1 A:HIS126 4.3 38.6 1.0 CG A:HIS251 4.3 44.4 1.0 CG A:GLN248 4.6 42.7 1.0 CB A:SER226 4.8 72.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Hpsn D352A Mutant From Cupriavidus Pinatubonensis in Complex with Nad+


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 Hpsn D352A Mutant From Cupriavidus Pinatubonensis in Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:45.6 occ:1.00 NE2 B:HIS251 2.1 54.2 1.0 NE2 B:HIS126 2.1 47.5 1.0 NE2 A:HIS411 2.1 49.6 1.0 O B:HOH669 2.2 41.5 1.0 OE1 B:GLN248 2.3 44.7 1.0 O B:HOH648 2.3 46.5 1.0 CD2 B:HIS251 3.0 53.3 1.0 CE1 B:HIS126 3.0 49.0 1.0 CE1 A:HIS411 3.0 50.6 1.0 CE1 B:HIS251 3.1 52.0 1.0 CD2 B:HIS126 3.1 47.3 1.0 CD2 A:HIS411 3.2 48.9 1.0 CD B:GLN248 3.3 44.4 1.0 NE2 B:GLN248 3.6 45.0 1.0 CG B:HIS251 4.1 53.5 1.0 ND1 B:HIS126 4.2 47.7 1.0 ND1 B:HIS251 4.2 53.4 1.0 ND1 A:HIS411 4.2 51.0 1.0 OG B:SER226 4.2 85.9 1.0 CG B:HIS126 4.2 49.3 1.0 CG A:HIS411 4.3 49.5 1.0 O B:HOH637 4.4 41.8 1.0 CG B:GLN248 4.6 45.3 1.0

L.Burchill, A.Kaur, A.Nastasovici, M.Lee, S.J.Williams. Structural and Kinetic Insights Into the Stereospecific Oxidation of R -2,3-Dihydroxypropanesulfonate By Dhps-3-Dehydrogenase From Cupriavidus Pinatubonensis. Chem Sci 2024.
ISSN: ISSN 2041-6520
PubMed: 39263660
DOI: 10.1039/D4SC05114A