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Zinc in PDB 3mhc: Crystal Structure of Human Cabonic Anhydrase II in Adduct with An Adamantyl Analogue of Acetazolamide in A Novel Hydrophobic Binding Pocket

Enzymatic activity of Crystal Structure of Human Cabonic Anhydrase II in Adduct with An Adamantyl Analogue of Acetazolamide in A Novel Hydrophobic Binding Pocket

All present enzymatic activity of Crystal Structure of Human Cabonic Anhydrase II in Adduct with An Adamantyl Analogue of Acetazolamide in A Novel Hydrophobic Binding Pocket:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Cabonic Anhydrase II in Adduct with An Adamantyl Analogue of Acetazolamide in A Novel Hydrophobic Binding Pocket, PDB code: 3mhc was solved by B.S.Avvaru, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.80 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.235, 41.351, 71.898, 90.00, 104.24, 90.00
R / Rfree (%) 16.6 / 21.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Cabonic Anhydrase II in Adduct with An Adamantyl Analogue of Acetazolamide in A Novel Hydrophobic Binding Pocket (pdb code 3mhc). 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 Cabonic Anhydrase II in Adduct with An Adamantyl Analogue of Acetazolamide in A Novel Hydrophobic Binding Pocket, PDB code: 3mhc:

Zinc binding site 1 out of 1 in 3mhc

Go back to Zinc Binding Sites List in 3mhc
Zinc binding site 1 out of 1 in the Crystal Structure of Human Cabonic Anhydrase II in Adduct with An Adamantyl Analogue of Acetazolamide in A Novel Hydrophobic Binding Pocket


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 Cabonic Anhydrase II in Adduct with An Adamantyl Analogue of Acetazolamide in A Novel Hydrophobic Binding Pocket within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:14.2
occ:1.00
 NE2 A:HIS94 2.0 11.1 1.0
NAA A:ARZ263 2.0 16.6 1.0
NE2 A:HIS96 2.1 14.9 1.0
ND1 A:HIS119 2.1 13.6 1.0
CD2 A:HIS94 2.9 11.1 1.0
SAV A:ARZ263 2.9 21.6 1.0
CE1 A:HIS119 3.0 11.5 1.0
CD2 A:HIS96 3.0 15.3 1.0
OAD A:ARZ263 3.0 18.8 1.0
CE1 A:HIS94 3.1 12.6 1.0
CE1 A:HIS96 3.1 13.5 1.0
CG A:HIS119 3.2 11.2 1.0
CB A:HIS119 3.6 11.5 1.0
OG1 A:THR199 3.9 12.5 1.0
OE1 A:GLU106 3.9 12.9 1.0
CG A:HIS94 4.1 12.3 1.0
OAC A:ARZ263 4.1 13.9 1.0
ND1 A:HIS94 4.1 11.5 1.0
NE2 A:HIS119 4.1 11.7 1.0
ND1 A:HIS96 4.2 12.1 1.0
CG A:HIS96 4.2 14.6 1.0
CAQ A:ARZ263 4.2 22.8 1.0
CD2 A:HIS119 4.3 10.8 1.0
O A:HOH356 4.5 23.1 1.0
CD A:GLU106 4.9 14.4 1.0
NAL A:ARZ263 4.9 23.5 1.0

Reference:

B.S.Avvaru, J.M.Wagner, A.Maresca, A.Scozzafava, A.H.Robbins, C.T.Supuran, R.Mckenna. Carbonic Anhydrase Inhibitors. the X-Ray Crystal Structure of Human Isoform II in Adduct with An Adamantyl Analogue of Acetazolamide Resides in A Less Utilized Binding Pocket Than Most Hydrophobic Inhibitors. Bioorg.Med.Chem.Lett. V. 20 4376 2010.
ISSN: ISSN 0960-894X
PubMed: 20605094
DOI: 10.1016/J.BMCL.2010.06.082
Page generated: Sat Oct 26 09:29:06 2024

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