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Zinc in PDB 2pou: The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide

Enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide

All present enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide, PDB code: 2pou was solved by V.Alterio, 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 (°) 41.910, 41.300, 71.740, 90.00, 104.31, 90.00
R / Rfree (%) 19.3 / 22.4

Other elements in 2pou:

The structure of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide (pdb code 2pou). 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 Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide, PDB code: 2pou:

Zinc binding site 1 out of 1 in 2pou

Go back to Zinc Binding Sites List in 2pou
Zinc binding site 1 out of 1 in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide


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 Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:8.1
occ:1.00
 NE2 A:HIS96 1.9 8.2 1.0
N2 A:I7A1000 2.0 7.4 1.0
NE2 A:HIS94 2.0 6.1 1.0
ND1 A:HIS119 2.1 4.7 1.0
CD2 A:HIS96 2.9 8.3 1.0
CE1 A:HIS119 3.0 5.3 1.0
CE1 A:HIS96 3.0 5.7 1.0
CD2 A:HIS94 3.0 7.3 1.0
O4 A:I7A1000 3.0 6.2 1.0
S2 A:I7A1000 3.0 8.1 1.0
CE1 A:HIS94 3.1 7.2 1.0
CG A:HIS119 3.1 5.2 1.0
CB A:HIS119 3.6 6.3 1.0
OG1 A:THR199 3.8 6.1 1.0
OE1 A:GLU106 3.9 6.6 1.0
C2 A:I7A1000 4.0 9.0 1.0
C3 A:I7A1000 4.0 8.6 1.0
CG A:HIS96 4.1 6.8 1.0
ND1 A:HIS96 4.1 7.2 1.0
NE2 A:HIS119 4.1 4.8 1.0
CG A:HIS94 4.1 7.4 1.0
ND1 A:HIS94 4.2 7.9 1.0
O3 A:I7A1000 4.2 8.6 1.0
CD2 A:HIS119 4.2 6.4 1.0
O A:HOH1177 4.5 17.7 1.0
CD A:GLU106 4.8 8.5 1.0
CH2 A:TRP209 5.0 4.7 1.0

Reference:

V.Alterio, G.De Simone, S.M.Monti, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Inhibitors: Inhibition of Human, Bacterial, and Archaeal Isozymes with Benzene-1,3-Disulfonamides-Solution and Crystallographic Studies. Bioorg.Med.Chem.Lett. V. 17 4201 2007.
ISSN: ISSN 0960-894X
PubMed: 17540563
DOI: 10.1016/J.BMCL.2007.05.045
Page generated: Thu Oct 17 03:09:19 2024

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