Zinc in PDB 6k3g: Crystal Structure of 10-Hydroxygeraniol Dehydrogenase From Cantharanthus Roseus in Complex with Nadp+

The structure of Crystal Structure of 10-Hydroxygeraniol Dehydrogenase From Cantharanthus Roseus in Complex with Nadp+, PDB code: 6k3g was solved by A.S.Sandholu, P.M.Sharmila, H.V.Thulasiram, K.A.Kulkarni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.16 / 2.41
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	53.180, 53.180, 252.773, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 26.6

The binding sites of Zinc atom in the Crystal Structure of 10-Hydroxygeraniol Dehydrogenase From Cantharanthus Roseus in Complex with Nadp+ (pdb code 6k3g). 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 10-Hydroxygeraniol Dehydrogenase From Cantharanthus Roseus in Complex with Nadp+, PDB code: 6k3g:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of 10-Hydroxygeraniol Dehydrogenase From Cantharanthus Roseus in Complex with Nadp+


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 10-Hydroxygeraniol Dehydrogenase From Cantharanthus Roseus in Complex with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:57.0 occ:1.00 SG B:CYS166 1.9 46.3 1.0 NE2 B:HIS72 2.2 44.8 1.0 SG B:CYS50 2.3 54.3 1.0 O B:HOH514 2.4 32.7 1.0 CE1 B:HIS72 3.0 45.3 1.0 CB B:CYS166 3.0 45.7 1.0 CD2 B:HIS72 3.3 43.5 1.0 CB B:CYS50 3.4 50.2 1.0 C5N B:NAP401 3.4 54.4 1.0 OG B:SER52 3.5 49.0 1.0 SG B:CYS98 3.8 49.1 1.0 CB B:SER52 3.8 49.4 1.0 C6N B:NAP401 4.0 55.4 1.0 C4N B:NAP401 4.1 56.0 1.0 ND1 B:HIS72 4.2 45.3 1.0 CG B:HIS72 4.3 43.9 1.0 CA B:CYS166 4.4 45.1 1.0 CD1 B:ILE303 4.5 53.6 1.0 OE1 B:GLU73 4.7 42.2 1.0 CA B:CYS50 4.8 48.0 1.0 C B:CYS166 4.8 44.5 1.0 NH2 B:ARG348 4.9 46.5 1.0 N B:ALA167 5.0 43.0 1.0 N B:SER52 5.0 48.7 1.0 CA B:SER52 5.0 49.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of 10-Hydroxygeraniol Dehydrogenase From Cantharanthus Roseus in Complex with Nadp+


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 10-Hydroxygeraniol Dehydrogenase From Cantharanthus Roseus in Complex with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:68.2 occ:1.00 SG B:CYS109 2.1 71.1 1.0 SG B:CYS117 2.2 57.7 1.0 SG B:CYS106 2.4 70.9 1.0 SG B:CYS103 2.5 74.4 1.0 CB B:CYS109 3.1 71.2 1.0 CB B:CYS117 3.1 58.2 1.0 CB B:CYS103 3.2 69.4 1.0 CB B:CYS106 3.3 74.6 1.0 N B:CYS103 3.6 63.9 1.0 N B:ARG104 3.6 67.9 1.0 N B:CYS106 3.6 76.1 1.0 CA B:CYS103 3.8 67.8 1.0 N B:CYS109 4.0 70.1 1.0 CA B:CYS106 4.0 76.2 1.0 C B:CYS103 4.1 68.9 1.0 CA B:CYS109 4.1 70.7 1.0 CA B:CYS117 4.1 59.1 1.0 N B:LYS105 4.2 75.5 1.0 O B:CYS106 4.5 78.8 1.0 CA B:ARG104 4.5 69.6 1.0 C B:CYS106 4.6 77.8 1.0 C B:SER102 4.6 61.5 1.0 CB B:SER102 4.6 56.9 1.0 C B:LYS105 4.8 78.3 1.0 C B:ARG104 4.8 73.3 1.0 CD B:PRO118 4.9 66.9 1.0

A.S.Sandholu, P.M.Sharmila, H.V.Thulasiram, K.A.Kulkarni. Crystal Structure of 10-Hydroxygeraniol Dehydrogenase From Cantharanthus Roseus in Complex with Nadp+ To Be Published.