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Cobalt in PDB 4ob0: Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Phenyl Boronic Acid

Enzymatic activity of Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Phenyl Boronic Acid

All present enzymatic activity of Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Phenyl Boronic Acid:
4.2.1.84;

Protein crystallography data

The structure of Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Phenyl Boronic Acid, PDB code: 4ob0 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) 30.96 / 1.20
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 65.680, 65.680, 185.691, 90.00, 90.00, 120.00
R / Rfree (%) 15.2 / 18.6

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Phenyl Boronic Acid (pdb code 4ob0). 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 Phenyl Boronic Acid, PDB code: 4ob0:

Cobalt binding site 1 out of 1 in 4ob0

Go back to Cobalt Binding Sites List in 4ob0
Cobalt binding site 1 out of 1 in the Crystal Structure of Nitrile Hydratase From Pseudonocardia Thermophila Bound to Phenyl Boronic 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 Nitrile Hydratase From Pseudonocardia Thermophila Bound to Phenyl Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co301

b:8.3
occ:0.80
 N A:CYS113 1.9 9.3 1.0
N A:SER112 2.0 8.7 1.0
O2 A:PBC302 2.0 16.5 0.8
SG A:CSD111 2.2 9.4 1.0
SG A:CYS113 2.2 10.0 0.8
SG A:CYS108 2.4 11.1 1.0
C A:SER112 2.7 9.6 1.0
CA A:SER112 2.8 8.1 1.0
CA A:CYS113 3.0 9.6 0.8
CA A:CYS113 3.0 10.6 0.2
C A:CSD111 3.0 9.2 1.0
CB A:CYS113 3.0 9.3 0.8
OD1 A:CSD111 3.1 9.7 0.8
B A:PBC302 3.1 18.0 0.8
CB A:CYS113 3.1 13.8 0.2
O1 A:PBC302 3.1 18.5 0.8
CB A:CSD111 3.2 10.3 1.0
OD2 A:CSD111 3.3 9.3 0.8
CB A:CYS108 3.3 10.2 1.0
CA A:CSD111 3.4 8.7 1.0
SG A:CYS113 3.5 17.1 0.2
OG A:SER112 3.7 10.2 1.0
N A:CSD111 3.8 8.5 1.0
CB A:SER112 3.8 8.7 1.0
O A:SER112 3.9 10.4 1.0
O A:CSD111 4.1 9.7 1.0
C A:CYS113 4.3 8.6 1.0
O A:CYS113 4.6 9.1 1.0
CA A:PBC302 4.6 19.1 0.8
CA A:CYS108 4.7 8.0 1.0
NH2 B:ARG157 4.8 10.3 1.0
O A:CYS108 4.9 9.0 1.0
C A:LEU110 4.9 8.9 1.0

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: Tue Jul 30 17:23:21 2024

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