Zinc in PDB 3hs4: Human Carbonic Anhydrase II Complexed with Acetazolamide

All present enzymatic activity of Human Carbonic Anhydrase II Complexed with Acetazolamide:
4.2.1.1;

The structure of Human Carbonic Anhydrase II Complexed with Acetazolamide, PDB code: 3hs4 was solved by A.H.Robbins, C.Genis, J.Domsic, K.H.Sippel, M.Agbandje-Mckenna, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.252, 41.097, 71.820, 90.00, 104.31, 90.00
R / Rfree (%)	11.3 / 14

The binding sites of Zinc atom in the Human Carbonic Anhydrase II Complexed with Acetazolamide (pdb code 3hs4). 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 Complexed with Acetazolamide, PDB code: 3hs4:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II Complexed with Acetazolamide


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 Complexed with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:4.8 occ:1.00 N1 A:AZM701 1.9 5.8 1.0 NE2 A:HIS96 2.0 4.7 1.0 NE2 A:HIS94 2.0 4.3 1.0 ND1 A:HIS119 2.0 4.7 1.0 CE1 A:HIS119 2.9 5.0 1.0 CD2 A:HIS96 3.0 4.8 1.0 CD2 A:HIS94 3.0 5.1 1.0 CE1 A:HIS94 3.0 4.7 1.0 CE1 A:HIS96 3.0 6.6 1.0 S1 A:AZM701 3.0 6.0 1.0 O2 A:AZM701 3.1 6.1 1.0 CG A:HIS119 3.1 4.7 1.0 CB A:HIS119 3.6 4.7 1.0 OG1 A:THR199 3.9 5.6 1.0 OE1 A:GLU106 4.0 6.9 1.0 NE2 A:HIS119 4.1 5.4 1.0 ND1 A:HIS94 4.1 4.9 1.0 CG A:HIS94 4.1 4.8 1.0 C1 A:AZM701 4.1 8.2 1.0 ND1 A:HIS96 4.1 6.3 1.0 O1 A:AZM701 4.2 7.2 1.0 CG A:HIS96 4.2 5.1 1.0 CD2 A:HIS119 4.2 5.2 1.0 C3 A:GOL400 4.6 14.8 1.0 N3 A:AZM701 4.8 10.1 1.0 CD A:GLU106 4.9 6.5 1.0

K.H.Sippel, A.H.Robbins, J.Domsic, C.Genis, M.Agbandje-Mckenna, R.Mckenna. High-Resolution Structure of Human Carbonic Anhydrase II Complexed with Acetazolamide Reveals Insights Into Inhibitor Drug Design. Acta Crystallogr.,Sect.F V. 65 992 2009.
ISSN: ESSN 1744-3091
PubMed: 19851004
DOI: 10.1107/S1744309109036665