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Zinc in PDB 3nb5: Human Carbonic Anhydrase II in Complex with 2-(3-Chloro-4- Hydroxyphenyl)-N-(4-Sulfamoylphenethyl)Acetamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with 2-(3-Chloro-4- Hydroxyphenyl)-N-(4-Sulfamoylphenethyl)Acetamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 2-(3-Chloro-4- Hydroxyphenyl)-N-(4-Sulfamoylphenethyl)Acetamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 2-(3-Chloro-4- Hydroxyphenyl)-N-(4-Sulfamoylphenethyl)Acetamide, PDB code: 3nb5 was solved by A.Hofmann, A.Osman, R.A.Davis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.79 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.670, 41.540, 72.470, 90.00, 104.89, 90.00
R / Rfree (%) 19.3 / 20.7

Other elements in 3nb5:

The structure of Human Carbonic Anhydrase II in Complex with 2-(3-Chloro-4- Hydroxyphenyl)-N-(4-Sulfamoylphenethyl)Acetamide also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with 2-(3-Chloro-4- Hydroxyphenyl)-N-(4-Sulfamoylphenethyl)Acetamide (pdb code 3nb5). 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 Human Carbonic Anhydrase II in Complex with 2-(3-Chloro-4- Hydroxyphenyl)-N-(4-Sulfamoylphenethyl)Acetamide, PDB code: 3nb5:

Zinc binding site 1 out of 1 in 3nb5

Go back to Zinc Binding Sites List in 3nb5
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with 2-(3-Chloro-4- Hydroxyphenyl)-N-(4-Sulfamoylphenethyl)Acetamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II in Complex with 2-(3-Chloro-4- Hydroxyphenyl)-N-(4-Sulfamoylphenethyl)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn261

b:6.9
occ:1.00
 NAK A:R21300 2.1 6.7 1.0
NE2 A:HIS96 2.1 5.0 1.0
NE2 A:HIS94 2.1 6.5 1.0
ND1 A:HIS119 2.2 5.0 1.0
CD2 A:HIS96 2.9 7.2 1.0
OAA A:R21300 3.0 7.4 1.0
CD2 A:HIS94 3.0 6.0 1.0
CE1 A:HIS119 3.0 5.6 1.0
SAJ A:R21300 3.1 5.0 1.0
CE1 A:HIS94 3.1 6.5 1.0
CE1 A:HIS96 3.2 7.8 1.0
CG A:HIS119 3.2 5.0 1.0
CB A:HIS119 3.6 5.0 1.0
OG1 A:THR198 3.8 6.0 1.0
OE1 A:GLU106 4.0 6.2 1.0
CG A:HIS96 4.1 7.8 1.0
CG A:HIS94 4.2 5.8 1.0
NE2 A:HIS119 4.2 5.2 1.0
ND1 A:HIS94 4.2 5.9 1.0
OAW A:R21300 4.2 6.6 1.0
ND1 A:HIS96 4.2 7.2 1.0
CAI A:R21300 4.2 5.0 1.0
CD2 A:HIS119 4.3 5.0 1.0
C1 A:GOL303 4.4 8.6 1.0
CAV A:R21300 4.8 5.0 1.0
CD A:GLU106 4.9 6.0 1.0
CAH A:R21300 5.0 9.5 1.0

Reference:

R.A.Davis, A.Hofmann, A.Osman, R.A.Hall, F.A.Muhlschlegel, D.Vullo, A.Innocenti, C.T.Supuran, S.A.Poulsen. Natural Product-Based Phenols As Novel Probes For Mycobacterial and Fungal Carbonic Anhydrases J.Med.Chem. V. 54 1682 2011.
ISSN: ISSN 0022-2623
PubMed: 21332115
DOI: 10.1021/JM1013242
Page generated: Sat Oct 26 10:10:17 2024

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