Zinc in PDB 1bn4: Carbonic Anhydrase II Inhibitor

All present enzymatic activity of Carbonic Anhydrase II Inhibitor:
4.2.1.1;

The structure of Carbonic Anhydrase II Inhibitor, PDB code: 1bn4 was solved by P.A.Boriack-Sjodin, S.Zeitlin, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.50 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.700, 41.700, 73.000, 90.00, 104.60, 90.00
R / Rfree (%)	16.3 / n/a

The structure of Carbonic Anhydrase II Inhibitor also contains other interesting chemical elements:

Mercury

(Hg)

1 atom

The binding sites of Zinc atom in the Carbonic Anhydrase II Inhibitor (pdb code 1bn4). 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 Carbonic Anhydrase II Inhibitor, PDB code: 1bn4:

Zinc binding site 1 out of 1 in the Carbonic Anhydrase II Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn262 b:9.2 occ:1.00 N21 A:AL9555 1.9 20.3 1.0 NE2 A:HIS96 2.0 2.7 1.0 NE2 A:HIS94 2.1 2.6 1.0 ND1 A:HIS119 2.1 9.5 1.0 CD2 A:HIS94 2.6 2.0 1.0 CD2 A:HIS96 2.8 2.0 1.0 CE1 A:HIS119 2.8 7.5 1.0 S1 A:AL9555 2.9 29.8 1.0 O2A A:AL9555 2.9 28.4 1.0 CE1 A:HIS96 3.1 3.1 1.0 CG A:HIS119 3.2 7.3 1.0 HG1 A:THR199 3.3 0.0 1.0 CE1 A:HIS94 3.3 2.5 1.0 CB A:HIS119 3.7 6.0 1.0 OG1 A:THR199 3.7 10.6 1.0 C3 A:AL9555 3.9 32.2 1.0 OE1 A:GLU106 4.0 8.5 1.0 CG A:HIS94 4.0 4.7 1.0 CG A:HIS96 4.0 2.3 1.0 O1A A:AL9555 4.0 25.6 1.0 NE2 A:HIS119 4.1 7.5 1.0 ND1 A:HIS96 4.2 3.7 1.0 ND1 A:HIS94 4.2 4.0 1.0 CD2 A:HIS119 4.3 5.4 1.0 C4 A:AL9555 4.5 31.7 1.0 HE2 A:HIS119 4.8 0.0 1.0 H A:THR199 4.8 0.0 1.0 CD A:GLU106 4.9 11.3 1.0

P.A.Boriack-Sjodin, S.Zeitlin, H.H.Chen, L.Crenshaw, S.Gross, A.Dantanarayana, P.Delgado, J.A.May, T.Dean, D.W.Christianson. Structural Analysis of Inhibitor Binding to Human Carbonic Anhydrase II. Protein Sci. V. 7 2483 1998.
ISSN: ISSN 0961-8368
PubMed: 9865942