Zinc in PDB 3k34: Human Carbonic Anhydrase II with A Sulfonamide Inhibitor

All present enzymatic activity of Human Carbonic Anhydrase II with A Sulfonamide Inhibitor:
4.2.1.1;

The structure of Human Carbonic Anhydrase II with A Sulfonamide Inhibitor, PDB code: 3k34 was solved by C.A.Behnke, I.Le Trong, E.A.Merritt, D.C.Teller, R.E.Stenkamp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.00 / 0.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.045, 41.269, 71.821, 90.00, 104.23, 90.00
R / Rfree (%)	n/a / 16

The structure of Human Carbonic Anhydrase II with A Sulfonamide Inhibitor also contains other interesting chemical elements:

Mercury

(Hg)

2 atoms

The binding sites of Zinc atom in the Human Carbonic Anhydrase II with A Sulfonamide Inhibitor (pdb code 3k34). 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 with A Sulfonamide Inhibitor, PDB code: 3k34:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II with A Sulfonamide Inhibitor


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 with A Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:5.8 occ:1.00 N1 A:SUA1003 1.9 6.7 1.0 NE2 A:HIS94 2.0 6.8 1.0 ND1 A:HIS119 2.0 6.0 1.0 NE2 A:HIS96 2.0 6.4 1.0 CE1 A:HIS119 2.9 5.7 1.0 CD2 A:HIS94 3.0 6.8 1.0 CD2 A:HIS96 3.0 6.6 1.0 O1 A:SUA1003 3.0 7.2 1.0 S1 A:SUA1003 3.0 6.5 1.0 CE1 A:HIS94 3.0 6.7 1.0 CE1 A:HIS96 3.0 7.4 1.0 CG A:HIS119 3.1 5.4 1.0 CB A:HIS119 3.6 6.0 1.0 OG1 A:THR199 3.9 6.3 1.0 OE1 A:GLU106 4.0 6.6 1.0 O2 A:SUA1003 4.1 6.9 1.0 NE2 A:HIS119 4.1 6.0 1.0 CG A:HIS94 4.2 7.0 1.0 ND1 A:HIS94 4.2 6.9 1.0 C3 A:SUA1003 4.2 7.9 1.0 CG A:HIS96 4.2 6.6 1.0 ND1 A:HIS96 4.2 7.7 1.0 CD2 A:HIS119 4.2 5.9 1.0 C2 A:SUA1003 4.8 9.9 1.0 C1 A:GOL1006 4.8 29.8 1.0 CD A:GLU106 4.9 6.2 1.0 C4 A:SUA1003 4.9 10.5 1.0

C.A.Behnke, I.Le Trong, J.W.Godden, E.A.Merritt, D.C.Teller, J.Bajorath, R.E.Stenkamp. Atomic Resolution Studies of Carbonic Anhydrase II. Acta Crystallogr.,Sect.D V. 66 616 2010.
ISSN: ISSN 0907-4449
PubMed: 20445237
DOI: 10.1107/S0907444910006554