Cobalt in PDB 1ugp: Crystal Structure of Co-Type Nitrile Hydratase Complexed with N-Butyric Acid

All present enzymatic activity of Crystal Structure of Co-Type Nitrile Hydratase Complexed with N-Butyric Acid:
4.2.1.84;

The structure of Crystal Structure of Co-Type Nitrile Hydratase Complexed with N-Butyric Acid, PDB code: 1ugp was solved by A.Miyanaga, S.Fushinobu, K.Ito, H.Shoun, T.Wakagi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.54 / 1.63
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.564, 65.564, 184.994, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 19.7

The binding sites of Cobalt atom in the Crystal Structure of Co-Type Nitrile Hydratase Complexed with N-Butyric Acid (pdb code 1ugp). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the Crystal Structure of Co-Type Nitrile Hydratase Complexed with N-Butyric Acid, PDB code: 1ugp:

Cobalt binding site 1 out of 1 in the Crystal Structure of Co-Type Nitrile Hydratase Complexed with N-Butyric Acid


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Co-Type Nitrile Hydratase Complexed with N-Butyric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co301 b:7.0 occ:1.00 N A:CSO113 2.0 5.4 1.0 N A:SER112 2.0 6.0 1.0 SG A:CSD111 2.2 7.2 1.0 SG A:CYS108 2.2 7.6 1.0 O1 A:BUA1302 2.2 17.2 0.5 SG A:CSO113 2.3 10.6 1.0 O1 A:BUA1302 2.6 22.6 0.5 C A:SER112 2.8 5.2 1.0 CA A:SER112 2.8 6.7 1.0 CA A:CSO113 2.9 6.9 1.0 OD A:CSO113 3.0 12.0 1.0 OD1 A:CSD111 3.0 8.1 1.0 CB A:CSO113 3.0 11.5 1.0 OD2 A:CSD111 3.0 8.4 1.0 C A:CSD111 3.1 6.4 1.0 CB A:CSD111 3.1 6.6 1.0 C4 A:BUA1302 3.1 25.5 0.5 O2 A:BUA1302 3.3 25.1 0.5 CB A:CYS108 3.3 5.3 1.0 CA A:CSD111 3.5 6.1 1.0 N A:CSD111 3.8 6.1 1.0 OG A:SER112 3.8 13.8 1.0 C4 A:BUA1302 3.8 26.8 0.5 CB A:SER112 3.9 8.9 1.0 O A:SER112 3.9 7.0 1.0 O A:CSD111 4.2 6.3 1.0 C A:CSO113 4.3 6.2 1.0 C3 A:BUA1302 4.5 28.6 0.5 O A:CSO113 4.6 7.7 1.0 O2 A:BUA1302 4.7 28.2 0.5 CA A:CYS108 4.7 4.2 1.0 C3 A:BUA1302 4.7 26.0 0.5 NH2 B:ARG157 4.8 7.2 1.0 C A:LEU110 4.8 6.4 1.0 O A:CYS108 4.9 7.0 1.0

A.Miyanaga, S.Fushinobu, K.Ito, H.Shoun, T.Wakagi. Mutational and Structural Analysis of Cobalt-Containing Nitrile Hydratase on Substrate and Metal Binding Eur.J.Biochem. V. 271 429 2004.
ISSN: ISSN 0014-2956
PubMed: 14717710
DOI: 10.1046/J.1432-1033.2003.03943.X