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Cobalt in PDB 4ob1: Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Butaneboronic Acid Via Co-Crystallization

Enzymatic activity of Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Butaneboronic Acid Via Co-Crystallization

All present enzymatic activity of Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Butaneboronic Acid Via Co-Crystallization:
4.2.1.84;

Protein crystallography data

The structure of Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Butaneboronic Acid Via Co-Crystallization, PDB code: 4ob1 was solved by W.Rui, M.Salette, S.Ruslan, H.Richard, L.Dali, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.06 / 1.63
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 65.870, 65.870, 186.150, 90.00, 90.00, 120.00
R / Rfree (%) 14.2 / 16.6

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Butaneboronic Acid Via Co-Crystallization (pdb code 4ob1). 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 Nitrile Hydratase From Pseudonocardia Thermophila Bound to Butaneboronic Acid Via Co-Crystallization, PDB code: 4ob1:

Cobalt binding site 1 out of 1 in 4ob1

Go back to Cobalt Binding Sites List in 4ob1
Cobalt binding site 1 out of 1 in the Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Butaneboronic Acid Via Co-Crystallization


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 Nitrile Hydratase From Pseudonocardia Thermophila Bound to Butaneboronic Acid Via Co-Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co301

b:6.4
occ:0.76
 N A:CYS113 1.9 5.7 1.0
N A:SER112 2.0 5.8 1.0
O16 A:BUB302 2.1 22.1 1.0
SG A:CSD111 2.1 9.3 1.0
SG A:CYS113 2.2 15.0 1.0
SG A:CYS108 2.4 9.7 1.0
C A:SER112 2.7 5.2 1.0
CA A:SER112 2.8 7.5 1.0
CA A:CYS113 2.9 9.1 1.0
C A:CSD111 3.0 7.5 1.0
OD1 A:CSD111 3.1 10.9 0.8
CB A:CYS113 3.1 10.5 1.0
CB A:CSD111 3.2 8.8 1.0
OD2 A:CSD111 3.3 8.7 0.7
B12 A:BUB302 3.3 27.1 1.0
CB A:CYS108 3.4 6.4 1.0
CA A:CSD111 3.4 7.5 1.0
O15 A:BUB302 3.7 22.5 1.0
OG A:SER112 3.7 10.3 1.0
N A:CSD111 3.8 6.0 1.0
CB A:SER112 3.9 9.5 1.0
O A:SER112 3.9 8.2 1.0
O A:CSD111 4.1 11.7 1.0
C A:CYS113 4.2 7.0 1.0
O A:CYS113 4.6 7.5 1.0
CA A:CYS108 4.8 6.1 1.0
C9 A:BUB302 4.8 25.8 1.0
NH2 B:ARG157 4.8 11.5 1.0
O A:CYS108 4.9 7.3 1.0
C A:LEU110 4.9 7.7 1.0
OG A:SER162 5.0 11.7 0.6

Reference:

S.Martinez, R.Wu, R.Sanishvili, D.Liu, R.Holz. The Active Site Sulfenic Acid Ligand in Nitrile Hydratases Can Function As A Nucleophile. J.Am.Chem.Soc. V. 136 1186 2014.
ISSN: ISSN 0002-7863
PubMed: 24383915
DOI: 10.1021/JA410462J
Page generated: Sun Dec 13 10:45:25 2020

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