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Zinc in PDB 3n3j: Crystal Structure of Human Carbonic Anhydrase II in Complex with A Benzenesulfonamide Inhibitor

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Benzenesulfonamide Inhibitor

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

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Benzenesulfonamide Inhibitor, PDB code: 3n3j was solved by B.S.Avvaru, J.Wagner, A.H.Robbins, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.86 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.293, 41.433, 71.820, 90.00, 104.18, 90.00
R / Rfree (%) 15.3 / 17.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Benzenesulfonamide Inhibitor (pdb code 3n3j). 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 A Benzenesulfonamide Inhibitor, PDB code: 3n3j:

Zinc binding site 1 out of 1 in 3n3j

Go back to Zinc Binding Sites List in 3n3j
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Benzenesulfonamide 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 Human Carbonic Anhydrase II in Complex with A Benzenesulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:11.5
occ:1.00
 N1 A:WWV263 1.9 10.3 1.0
NE2 A:HIS96 2.0 16.1 1.0
NE2 A:HIS94 2.0 9.0 1.0
ND1 A:HIS119 2.1 9.3 1.0
HN1A A:WWV263 2.5 12.2 1.0
CE1 A:HIS119 2.9 8.4 1.0
CD2 A:HIS94 2.9 10.8 1.0
CE1 A:HIS96 3.0 10.4 1.0
CD2 A:HIS96 3.0 11.9 1.0
HE1 A:HIS119 3.0 10.0 1.0
CE1 A:HIS94 3.0 9.6 1.0
S1 A:WWV263 3.1 10.7 1.0
HD2 A:HIS94 3.1 12.9 1.0
O1 A:WWV263 3.2 10.8 1.0
HE1 A:HIS96 3.2 12.4 1.0
CG A:HIS119 3.2 8.4 1.0
HD2 A:HIS96 3.2 14.2 1.0
HB2 A:HIS119 3.2 12.2 1.0
HE1 A:HIS94 3.3 11.5 1.0
HG1 A:THR199 3.6 14.3 1.0
CB A:HIS119 3.6 10.2 1.0
HB3 A:HIS119 3.8 12.2 1.0
H32 A:GOL303 3.8 17.1 1.0
OG1 A:THR199 4.0 11.9 1.0
OE1 A:GLU106 4.0 11.5 1.0
H31 A:GOL303 4.0 17.1 1.0
ND1 A:HIS96 4.1 11.7 1.0
NE2 A:HIS119 4.1 8.4 1.0
CG A:HIS94 4.1 11.6 1.0
ND1 A:HIS94 4.1 9.8 1.0
CG A:HIS96 4.1 9.1 1.0
C1 A:WWV263 4.1 12.8 1.0
O2 A:WWV263 4.2 11.4 1.0
HH2 A:TRP209 4.2 12.0 1.0
CD2 A:HIS119 4.2 8.1 1.0
C3 A:GOL303 4.4 14.3 1.0
H2 A:GOL303 4.5 15.6 1.0
H6 A:WWV263 4.6 14.6 1.0
C6 A:WWV263 4.8 12.2 1.0
HE2 A:HIS119 4.9 10.0 1.0
HD1 A:HIS96 4.9 13.9 1.0
HD1 A:HIS94 4.9 11.7 1.0
H2 A:WWV263 4.9 16.7 1.0
HG23 A:THR200 4.9 14.4 1.0
CD A:GLU106 5.0 10.8 1.0
C2 A:WWV263 5.0 14.0 1.0
HG11 A:VAL143 5.0 12.2 1.0

Reference:

F.Pacchiano, M.Aggarwal, B.S.Avvaru, A.H.Robbins, A.Scozzafava, R.Mckenna, C.T.Supuran. Selective Hydrophobic Pocket Binding Observed Within the Carbonic Anhydrase II Active Site Accommodate Different 4-Substituted-Ureido-Benzenesulfonamides and Correlate to Inhibitor Potency. Chem.Commun.(Camb.) V. 46 8371 2010.
ISSN: ISSN 1359-7345
PubMed: 20922253
DOI: 10.1039/C0CC02707C
Page generated: Sat Oct 26 10:00:15 2024

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