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Zinc in PDB 2qoa: Crystal Structure of the Complex of Hcaii with An Indane-Sulfonamide Inhibitor

Enzymatic activity of Crystal Structure of the Complex of Hcaii with An Indane-Sulfonamide Inhibitor

All present enzymatic activity of Crystal Structure of the Complex of Hcaii with An Indane-Sulfonamide Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of the Complex of Hcaii with An Indane-Sulfonamide Inhibitor, PDB code: 2qoa 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) 20.00 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.323, 41.408, 71.968, 90.00, 104.43, 90.00
R / Rfree (%) 17.7 / 19.6

Other elements in 2qoa:

The structure of Crystal Structure of the Complex of Hcaii with An Indane-Sulfonamide Inhibitor also contains other interesting chemical elements:

Mercury (Hg) 1 atom
Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Complex of Hcaii with An Indane-Sulfonamide Inhibitor (pdb code 2qoa). 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 the Complex of Hcaii with An Indane-Sulfonamide Inhibitor, PDB code: 2qoa:

Zinc binding site 1 out of 1 in 2qoa

Go back to Zinc Binding Sites List in 2qoa
Zinc binding site 1 out of 1 in the Crystal Structure of the Complex of Hcaii with An Indane-Sulfonamide Inhibitor


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 the Complex of Hcaii with An Indane-Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:6.9
occ:1.00
N1 A:MAJ800 2.1 5.8 1.0
NE2 A:HIS94 2.1 5.1 1.0
NE2 A:HIS96 2.1 4.1 1.0
ND1 A:HIS119 2.1 5.5 1.0
O1 A:MAJ800 2.9 5.8 1.0
CD2 A:HIS96 3.0 6.7 1.0
CD2 A:HIS94 3.0 6.2 1.0
CE1 A:HIS119 3.0 5.2 1.0
S1 A:MAJ800 3.1 6.0 1.0
CE1 A:HIS94 3.1 5.4 1.0
CG A:HIS119 3.2 4.8 1.0
CE1 A:HIS96 3.2 5.6 1.0
CB A:HIS119 3.6 5.2 1.0
OG1 A:THR199 3.8 6.2 1.0
OE1 A:GLU106 4.0 5.6 1.0
O2 A:MAJ800 4.1 6.2 1.0
CG A:HIS96 4.2 3.8 1.0
CG A:HIS94 4.2 5.3 1.0
NE2 A:HIS119 4.2 4.0 1.0
ND1 A:HIS94 4.2 3.9 1.0
C2 A:MAJ800 4.2 8.8 1.0
ND1 A:HIS96 4.2 5.2 1.0
CD2 A:HIS119 4.3 4.9 1.0
C3 A:GOL802 4.3 11.8 1.0
C3 A:MAJ800 4.9 12.2 1.0
CD A:GLU106 4.9 5.8 1.0
C1 A:MAJ800 5.0 11.5 1.0

Reference:

K.D'ambrosio, B.Masereel, A.Thiry, A.Scozzafava, C.T.Supuran, G.De Simone. Carbonic Anhydrase Inhibitors: Binding of Indanesulfonamides to the Human Isoform II. Chemmedchem V. 3 473 2007.
ISSN: ISSN 1860-7179
PubMed: 18161740
DOI: 10.1002/CMDC.200700274
Page generated: Wed Dec 16 03:50:46 2020

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