Zinc in PDB 7c2o: Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt

The structure of Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt, PDB code: 7c2o was solved by K.Vinaykumar, B.Kanalelamparithi, D.Chaudhury, K.Gunasekaran, A.Chadha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.13 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.392, 100.950, 115.277, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 29.6

The binding sites of Zinc atom in the Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt (pdb code 7c2o). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt, PDB code: 7c2o:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt


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 R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:29.5 occ:1.00 SG A:CYS102 2.3 36.1 1.0 SG A:CYS105 2.5 43.7 1.0 SG A:CYS116 2.6 28.4 1.0 SG A:CYS108 2.6 42.4 1.0 CB A:CYS105 3.1 43.3 1.0 CB A:CYS102 3.2 36.6 1.0 CB A:CYS116 3.4 29.4 1.0 N A:CYS102 3.4 36.1 1.0 N A:CYS105 3.6 41.9 1.0 CA A:CYS102 3.7 37.4 1.0 N A:ARG103 3.7 37.0 1.0 CB A:CYS108 3.8 42.8 1.0 CA A:CYS105 4.0 42.9 1.0 C A:CYS102 4.1 39.0 1.0 N A:SER104 4.2 39.3 1.0 CA A:CYS116 4.3 30.9 1.0 CB A:SER101 4.4 34.4 1.0 N A:CYS108 4.4 37.6 1.0 C A:SER101 4.5 32.7 1.0 OG A:SER101 4.6 35.5 1.0 CA A:CYS108 4.6 40.4 1.0 CA A:ARG103 4.7 38.7 1.0 C A:SER104 4.7 44.7 1.0 C A:CYS105 4.8 43.0 1.0 CA A:SER101 5.0 33.6 1.0 C A:ARG103 5.0 41.0 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt


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 R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:55.6 occ:1.00 CB B:CYS102 2.3 64.8 1.0 SG B:CYS105 2.5 72.5 1.0 SG B:CYS116 2.6 48.2 1.0 SG B:CYS108 2.8 69.1 1.0 CB B:CYS116 3.1 37.6 1.0 CB B:CYS105 3.2 74.7 1.0 N B:CYS102 3.3 58.5 1.0 CA B:CYS102 3.3 62.8 1.0 SG B:CYS102 3.7 69.5 1.0 OG B:SER101 3.7 54.3 1.0 N B:CYS105 4.1 75.2 1.0 N B:ARG103 4.1 61.9 1.0 C B:CYS102 4.1 64.8 1.0 CB B:CYS108 4.2 69.7 1.0 CA B:CYS105 4.2 76.3 1.0 CA B:CYS116 4.3 36.9 1.0 N B:CYS108 4.5 65.4 1.0 C B:SER101 4.6 51.9 1.0 N B:SER104 4.8 65.2 1.0 CA B:CYS108 4.9 66.9 1.0 CB B:SER101 4.9 52.3 1.0 CB B:ARG107 4.9 61.4 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:36.1 occ:1.00 NE2 B:HIS71 2.0 36.2 1.0 SG B:CYS167 2.3 35.8 1.0 SG B:CYS48 2.3 38.9 1.0 CE1 B:HIS71 2.6 37.0 1.0 CD2 B:HIS71 3.1 36.6 1.0 CB B:CYS48 3.4 39.5 1.0 OG B:SER50 3.7 38.4 1.0 CB B:CYS167 3.7 35.2 1.0 ND1 B:HIS71 3.8 37.3 1.0 O B:HOH555 3.8 27.4 1.0 CG B:HIS71 4.0 36.7 1.0 CB B:SER50 4.1 38.8 1.0 CB B:ALA97 4.5 31.2 1.0 CA B:CYS48 4.9 40.4 1.0 N B:SER50 4.9 38.5 1.0 CA B:CYS167 5.0 34.1 1.0

K.Vinaykumar, B.Kanalelamparithi, D.Chaudhury, K.Gunasekaran, A.Chadha. Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 Without Dtt To Be Published.