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Zinc in PDB 3c7p: Crystal Structure of Human Carbonic Anhydrase II in Complex with STX237

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with STX237

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with STX237:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with STX237, PDB code: 3c7p 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) 20.00 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.050, 41.440, 71.670, 90.00, 104.35, 90.00
R / Rfree (%) 18.1 / 20.2

Other elements in 3c7p:

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with STX237 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 Human Carbonic Anhydrase II in Complex with STX237 (pdb code 3c7p). 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 II in Complex with STX237, PDB code: 3c7p:

Zinc binding site 1 out of 1 in 3c7p

Go back to Zinc Binding Sites List in 3c7p
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with STX237


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 II in Complex with STX237 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:9.6
occ:1.00
 NE2 A:HIS96 2.0 9.8 1.0
N1 A:POF265 2.0 8.8 1.0
ND1 A:HIS119 2.1 6.0 1.0
NE2 A:HIS94 2.1 8.1 1.0
CD2 A:HIS96 2.9 9.4 1.0
CD2 A:HIS94 3.0 7.8 1.0
CE1 A:HIS119 3.0 5.8 1.0
CE1 A:HIS96 3.1 9.4 1.0
S1 A:POF265 3.1 11.0 1.0
CE1 A:HIS94 3.1 9.4 1.0
CG A:HIS119 3.1 6.2 1.0
O2 A:POF265 3.3 11.4 1.0
O3 A:POF265 3.5 11.6 1.0
CB A:HIS119 3.5 6.0 1.0
OE1 A:GLU106 3.9 6.9 1.0
OG1 A:THR199 3.9 7.0 1.0
CG A:HIS96 4.0 8.0 1.0
ND1 A:HIS96 4.1 9.7 1.0
NE2 A:HIS119 4.1 5.8 1.0
CG A:HIS94 4.1 6.3 1.0
ND1 A:HIS94 4.2 7.6 1.0
CD2 A:HIS119 4.2 6.3 1.0
O1 A:POF265 4.3 10.5 1.0
C3 A:GOL264 4.6 18.1 1.0
CD A:GLU106 4.8 7.8 1.0
C1 A:POF265 4.9 16.6 1.0
CH2 A:TRP209 5.0 7.0 1.0

Reference:

L.W.L.Woo, D.S.Fischer, C.M.Sharland, M.Trusselle, P.A.Foster, S.K.Chander, A.Di Fiore, C.T.Supuran, G.De Simone, A.Purohit, M.J.Reed, B.V.L.Potter. Anticancer Steroid Sulfatase Inhibitors: Synthesis of A Potent Fluorinated Second-Generation Agent, in Vitro and in Vivo Activities, Molecular Modeling, and Protein Crystallography Mol.Cancer Ther. V. 7 2435 2008.
ISSN: ISSN 1535-7163
PubMed: 18723489
DOI: 10.1158/1535-7163.MCT-08-0195
Page generated: Wed Dec 16 04:10:16 2020

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