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Zinc in PDB 4qy3: The Crystal Structure of the Complex of Hcaii with An Ortho- Substituted Benzoic Acid

Enzymatic activity of The Crystal Structure of the Complex of Hcaii with An Ortho- Substituted Benzoic Acid

All present enzymatic activity of The Crystal Structure of the Complex of Hcaii with An Ortho- Substituted Benzoic Acid:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of the Complex of Hcaii with An Ortho- Substituted Benzoic Acid, PDB code: 4qy3 was solved by K.D'ambrosio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.150, 41.530, 72.180, 90.00, 104.52, 90.00
R / Rfree (%) 16.3 / 18.4

Other elements in 4qy3:

The structure of The Crystal Structure of the Complex of Hcaii with An Ortho- Substituted Benzoic Acid also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of the Complex of Hcaii with An Ortho- Substituted Benzoic Acid (pdb code 4qy3). 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 The Crystal Structure of the Complex of Hcaii with An Ortho- Substituted Benzoic Acid, PDB code: 4qy3:

Zinc binding site 1 out of 1 in 4qy3

Go back to Zinc Binding Sites List in 4qy3
Zinc binding site 1 out of 1 in the The Crystal Structure of the Complex of Hcaii with An Ortho- Substituted Benzoic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of the Complex of Hcaii with An Ortho- Substituted Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:7.3
occ:1.00
 NE2 A:HIS94 2.0 4.9 1.0
NE2 A:HIS96 2.0 4.1 1.0
O A:HOH644 2.0 10.4 1.0
ND1 A:HIS119 2.1 6.2 1.0
CD2 A:HIS94 2.9 5.9 1.0
CE1 A:HIS119 3.0 5.4 1.0
CD2 A:HIS96 3.0 5.8 1.0
CE1 A:HIS96 3.1 5.0 1.0
CE1 A:HIS94 3.1 7.2 1.0
CG A:HIS119 3.1 4.9 1.0
CB A:HIS119 3.6 4.6 1.0
OG1 A:THR199 3.7 6.4 1.0
O A:HOH682 3.9 31.5 1.0
OE1 A:GLU106 4.0 6.2 1.0
NE2 A:HIS119 4.1 4.9 1.0
CG A:HIS94 4.1 6.2 1.0
ND1 A:HIS94 4.1 5.1 1.0
CG A:HIS96 4.1 3.8 1.0
ND1 A:HIS96 4.1 4.7 1.0
CD2 A:HIS119 4.2 6.0 1.0
O A:HOH603 4.4 31.9 1.0
CD A:GLU106 4.9 5.2 1.0

Reference:

K.D'ambrosio, S.Carradori, S.M.Monti, M.Buonanno, D.Secci, D.Vullo, C.T.Supuran, G.De Simone. Out of the Active Site Binding Pocket For Carbonic Anhydrase Inhibitors. Chem.Commun.(Camb.) 2014.
ISSN: ESSN 1364-548X
PubMed: 25407638
DOI: 10.1039/C4CC07320G
Page generated: Wed Aug 20 21:55:00 2025

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