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Zinc in PDB 4e4a: Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors

Enzymatic activity of Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors

All present enzymatic activity of Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors:
4.2.1.1;

Protein crystallography data

The structure of Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors, PDB code: 4e4a was solved by S.M.Cohen, D.P.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.77 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.058, 41.530, 71.927, 90.00, 104.21, 90.00
R / Rfree (%) 18.5 / 22.1

Other elements in 4e4a:

The structure of Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors (pdb code 4e4a). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors, PDB code: 4e4a:

Zinc binding site 1 out of 1 in 4e4a

Go back to Zinc Binding Sites List in 4e4a
Zinc binding site 1 out of 1 in the Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:7.1
occ:1.00
 O A:HOH401 2.0 12.9 1.0
NE2 A:HIS94 2.0 4.8 1.0
NE2 A:HIS96 2.0 5.0 1.0
ND1 A:HIS119 2.0 5.5 1.0
CE1 A:HIS119 2.9 5.1 1.0
CE1 A:HIS96 3.0 5.9 1.0
CD2 A:HIS94 3.0 5.9 1.0
CE1 A:HIS94 3.0 6.9 1.0
CD2 A:HIS96 3.1 4.8 1.0
CG A:HIS119 3.1 5.5 1.0
CB A:HIS119 3.6 5.8 1.0
OD1 A:JKE302 3.7 26.0 1.0
OG1 A:THR199 3.7 6.3 1.0
OE1 A:GLU106 4.0 5.1 1.0
NE2 A:HIS119 4.1 4.8 1.0
ND1 A:HIS96 4.1 7.4 1.0
CG A:HIS94 4.1 5.4 1.0
ND1 A:HIS94 4.2 6.9 1.0
CG A:HIS96 4.2 5.5 1.0
CD2 A:HIS119 4.2 4.5 1.0
CG A:JKE302 4.4 21.5 1.0
OD2 A:JKE302 4.4 21.4 1.0
CD A:GLU106 4.9 5.7 1.0

Reference:

D.P.Martin, S.M.Cohen. Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors Chem.Commun.(Camb.) V. 48 5259 2012.
ISSN: ISSN 1359-7345
PubMed: 22531842
DOI: 10.1039/C2CC32013D
Page generated: Wed Aug 20 17:20:45 2025

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