Zinc in PDB 7nc4: Crystal Structure of Human Carbonic Anhydrase VII (Hca VII) in Complex with A 4-(4-Aroylpiperazine-1-Carbonyl)Benzenesulfonamide Derivative.

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase VII (Hca VII) in Complex with A 4-(4-Aroylpiperazine-1-Carbonyl)Benzenesulfonamide Derivative.

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase VII (Hca VII) in Complex with A 4-(4-Aroylpiperazine-1-Carbonyl)Benzenesulfonamide Derivative.:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase VII (Hca VII) in Complex with A 4-(4-Aroylpiperazine-1-Carbonyl)Benzenesulfonamide Derivative., PDB code: 7nc4 was solved by A.Di Fiore, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.10 / 1.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 66.12, 89.37, 44.05, 90, 90, 90
R / Rfree (%) 19.6 / 21.4

Other elements in 7nc4:

The structure of Crystal Structure of Human Carbonic Anhydrase VII (Hca VII) in Complex with A 4-(4-Aroylpiperazine-1-Carbonyl)Benzenesulfonamide Derivative. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase VII (Hca VII) in Complex with A 4-(4-Aroylpiperazine-1-Carbonyl)Benzenesulfonamide Derivative. (pdb code 7nc4). 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 Crystal Structure of Human Carbonic Anhydrase VII (Hca VII) in Complex with A 4-(4-Aroylpiperazine-1-Carbonyl)Benzenesulfonamide Derivative., PDB code: 7nc4:

Zinc binding site 1 out of 1 in 7nc4

Go back to Zinc Binding Sites List in 7nc4
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase VII (Hca VII) in Complex with A 4-(4-Aroylpiperazine-1-Carbonyl)Benzenesulfonamide Derivative.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Carbonic Anhydrase VII (Hca VII) in Complex with A 4-(4-Aroylpiperazine-1-Carbonyl)Benzenesulfonamide Derivative. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:13.8
occ:1.00
 NAA A:U7Z302 2.0 16.7 1.0
NE2 A:HIS94 2.0 10.5 1.0
NE2 A:HIS96 2.0 12.3 1.0
ND1 A:HIS119 2.1 10.8 1.0
CE1 A:HIS119 2.9 11.7 1.0
OAE A:U7Z302 3.0 18.4 1.0
CE1 A:HIS94 3.0 14.1 1.0
CD2 A:HIS94 3.0 12.1 1.0
CE1 A:HIS96 3.0 16.9 1.0
CD2 A:HIS96 3.0 15.2 1.0
SBA A:U7Z302 3.1 17.6 1.0
CG A:HIS119 3.2 13.6 1.0
CB A:HIS119 3.6 11.3 1.0
OG1 A:THR199 3.9 13.7 1.0
OE1 A:GLU106 4.0 15.3 1.0
NE2 A:HIS119 4.1 11.1 1.0
ND1 A:HIS94 4.1 13.0 1.0
CAW A:U7Z302 4.1 20.6 1.0
ND1 A:HIS96 4.1 14.7 1.0
CG A:HIS94 4.2 12.1 1.0
OAD A:U7Z302 4.2 18.8 1.0
CG A:HIS96 4.2 14.0 1.0
CD2 A:HIS119 4.2 14.3 1.0
CAL A:U7Z302 4.7 22.6 1.0
CD A:GLU106 4.8 17.7 1.0
C3 A:GOL303 5.0 33.2 1.0
CAM A:U7Z302 5.0 22.4 1.0

Reference:

F.Mancuso, A.Di Fiore, L.De Luca, A.Angeli, G.De Simone, C.T.Supuran, R.Gitto. Design, Synthesis and Biochemical Evaluation of Novel Carbonic Anhydrase Inhibitors Triggered By Structural Knowledge on Hca VII. Bioorg.Med.Chem. V. 44 16279 2021.
ISSN: ESSN 1464-3391
PubMed: 34216985
DOI: 10.1016/J.BMC.2021.116279
Page generated: Wed Oct 30 07:44:10 2024

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