Zinc in PDB 6isv: Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 in Complex with Nad

The structure of Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 in Complex with Nad, PDB code: 6isv was solved by A.A.Koesoema, Y.Sugiyama, M.Senda, T.Senda, T.Matsuda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.90 / 2.50
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	104.751, 104.751, 273.064, 90.00, 90.00, 120.00
R / Rfree (%)	21.8 / 27.2

The binding sites of Zinc atom in the Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 in Complex with Nad (pdb code 6isv). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 in Complex with Nad, PDB code: 6isv:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 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 Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 in Complex with Nad within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:66.8 occ:1.00 SG A:CYS104 2.2 55.6 1.0 SG A:CYS101 2.2 58.3 1.0 SG A:CYS112 2.3 67.3 1.0 SG A:CYS98 2.4 62.2 1.0 CB A:CYS101 3.2 60.6 1.0 CB A:CYS112 3.3 59.9 1.0 CB A:CYS98 3.4 52.8 1.0 N A:CYS98 3.4 65.5 1.0 CB A:CYS104 3.5 56.8 1.0 N A:CYS101 3.7 48.0 1.0 N A:GLY99 3.9 69.6 1.0 CA A:CYS98 3.9 58.2 1.0 CA A:CYS101 4.0 51.6 1.0 CB A:ALA114 4.0 65.7 1.0 CA A:CYS112 4.1 66.5 1.0 N A:CYS104 4.1 67.7 1.0 C A:CYS98 4.3 65.4 1.0 N A:SER100 4.4 72.4 1.0 CA A:CYS104 4.4 59.6 1.0 C A:PRO97 4.6 72.1 1.0 C A:CYS101 4.7 49.7 1.0 CB A:PRO97 4.8 54.6 1.0 N A:ALA114 4.8 82.7 1.0 CA A:PRO97 4.8 56.6 1.0 C A:SER100 4.9 67.9 1.0 CA A:GLY99 4.9 61.5 1.0 C A:CYS112 5.0 64.2 1.0 O A:CYS101 5.0 47.4 1.0

Zinc binding site 2 out of 4 in the Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 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 Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 in Complex with Nad within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:72.4 occ:1.00 NE2 A:HIS66 2.1 65.8 1.0 OD2 A:ASP156 2.1 69.8 1.0 SG A:CYS45 2.4 68.4 1.0 CG A:ASP156 3.0 69.8 1.0 CD2 A:HIS66 3.1 65.2 1.0 CE1 A:HIS66 3.1 70.3 1.0 C5N A:NAD401 3.1 69.2 1.0 CB A:CYS45 3.3 73.3 1.0 OD1 A:ASP156 3.3 62.2 1.0 OG A:SER47 3.4 68.7 1.0 C6N A:NAD401 3.8 65.0 1.0 C4N A:NAD401 4.0 64.6 1.0 CB A:SER47 4.1 60.0 1.0 ND1 A:HIS66 4.2 65.8 1.0 CG A:HIS66 4.2 67.3 1.0 CB A:ASP156 4.4 56.2 1.0 NH2 A:ARG333 4.8 79.2 1.0 CA A:CYS45 4.8 70.4 1.0

Zinc binding site 3 out of 4 in the Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 in Complex with Nad


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 in Complex with Nad within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:52.9 occ:1.00 SG B:CYS98 2.2 49.7 1.0 SG B:CYS104 2.3 59.6 1.0 SG B:CYS112 2.4 52.1 1.0 SG B:CYS101 2.5 49.9 1.0 CB B:CYS112 3.3 46.4 1.0 CB B:CYS104 3.3 50.7 1.0 CB B:CYS101 3.4 37.5 1.0 N B:CYS98 3.4 44.3 1.0 CB B:CYS98 3.5 46.3 1.0 N B:GLY99 3.5 45.1 1.0 CA B:CYS98 3.8 45.1 1.0 N B:CYS101 3.9 49.1 1.0 CA B:CYS112 4.1 51.6 1.0 C B:CYS98 4.1 51.2 1.0 N B:CYS104 4.1 51.1 1.0 CA B:CYS101 4.2 43.7 1.0 CA B:CYS104 4.3 52.6 1.0 CB B:ALA114 4.4 52.3 1.0 N B:SER100 4.4 57.9 1.0 C B:PRO97 4.4 52.9 1.0 CA B:GLY99 4.5 55.9 1.0 CB B:PRO97 4.6 42.9 1.0 O B:HOH506 4.7 45.0 1.0 CA B:PRO97 4.7 55.1 1.0 C B:CYS101 4.8 52.5 1.0 C B:GLY99 4.9 66.9 1.0 N B:ALA114 4.9 64.7 1.0

Zinc binding site 4 out of 4 in the Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 in Complex with Nad


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Acetophenone Reductase From Geotrichum Candidum Nbrc 4597 in Complex with Nad within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:68.0 occ:1.00 OD2 B:ASP156 2.0 84.2 1.0 NE2 B:HIS66 2.1 73.4 1.0 SG B:CYS45 2.4 74.5 1.0 CG B:ASP156 2.9 76.9 1.0 CE1 B:HIS66 3.0 74.2 1.0 CD2 B:HIS66 3.0 71.7 1.0 CB B:CYS45 3.2 77.0 1.0 OD1 B:ASP156 3.3 70.9 1.0 C5N B:NAD401 3.4 67.8 1.0 C6N B:NAD401 4.0 68.0 1.0 ND1 B:HIS66 4.1 72.6 1.0 CG B:HIS66 4.1 72.2 1.0 C4N B:NAD401 4.2 66.0 1.0 CB B:SER47 4.2 67.6 1.0 CB B:ASP156 4.2 72.9 1.0 NH2 B:ARG333 4.3 89.6 1.0 OG B:SER47 4.4 79.0 1.0 OE1 B:GLU67 4.5 79.0 1.0 CA B:CYS45 4.7 75.6 1.0

A.A.Koesoema, Y.Sugiyama, Z.Xu, D.M.Standley, M.Senda, T.Senda, T.Matsuda. Structural Basis For A Highly (S)-Enantioselective Reductase Towards Aliphatic Ketones with Only One Carbon Difference Between Side Chain. Appl.Microbiol.Biotechnol. V. 103 9543 2019.
ISSN: ESSN 1432-0614
PubMed: 31482280
DOI: 10.1007/S00253-019-10093-W