Zinc in PDB 1koq: Neisseria Gonorrhoeae Carbonic Anhydrase

All present enzymatic activity of Neisseria Gonorrhoeae Carbonic Anhydrase:
4.2.1.1;

The structure of Neisseria Gonorrhoeae Carbonic Anhydrase, PDB code: 1koq was solved by S.Huang, Y.Xue, L.Chirica, S.Lindskog, B.-H.Jonsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.230, 74.940, 62.380, 90.00, 93.87, 90.00
R / Rfree (%)	20.6 / 27.1

The binding sites of Zinc atom in the Neisseria Gonorrhoeae Carbonic Anhydrase (pdb code 1koq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Neisseria Gonorrhoeae Carbonic Anhydrase, PDB code: 1koq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Neisseria Gonorrhoeae Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Neisseria Gonorrhoeae Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:22.1 occ:1.00 ND1 A:HIS111 2.0 9.4 1.0 NE2 A:HIS92 2.1 27.6 1.0 O A:HOH303 2.2 23.1 1.0 NE2 A:HIS94 2.2 15.2 1.0 CE1 A:HIS111 2.9 13.9 1.0 CD2 A:HIS92 2.9 22.8 1.0 CD2 A:HIS94 3.0 12.4 1.0 CG A:HIS111 3.1 14.2 1.0 CE1 A:HIS92 3.2 24.6 1.0 CE1 A:HIS94 3.3 19.6 1.0 CB A:HIS111 3.6 12.1 1.0 OG1 A:THR177 3.8 19.4 1.0 OE1 A:GLU98 4.0 16.8 1.0 NE2 A:HIS111 4.0 9.3 1.0 O A:HOH304 4.0 34.5 1.0 CG A:HIS92 4.1 25.2 1.0 O A:HOH324 4.1 22.8 1.0 CD2 A:HIS111 4.2 9.8 1.0 ND1 A:HIS92 4.2 24.6 1.0 CG A:HIS94 4.2 14.8 1.0 ND1 A:HIS94 4.3 15.2 1.0 O A:HOH474 4.8 30.8 1.0 CD A:GLU98 5.0 12.7 1.0

Zinc binding site 2 out of 2 in the Neisseria Gonorrhoeae Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Neisseria Gonorrhoeae Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:23.7 occ:1.00 O B:HOH305 2.1 24.7 1.0 NE2 B:HIS92 2.1 24.8 1.0 ND1 B:HIS111 2.2 9.3 1.0 NE2 B:HIS94 2.3 14.9 1.0 CD2 B:HIS92 2.9 21.3 1.0 CE1 B:HIS111 3.0 7.2 1.0 CD2 B:HIS94 3.0 15.0 1.0 CG B:HIS111 3.3 12.3 1.0 CE1 B:HIS92 3.3 20.9 1.0 CE1 B:HIS94 3.4 15.1 1.0 CB B:HIS111 3.7 13.5 1.0 OG1 B:THR177 3.8 20.3 1.0 OE1 B:GLU98 3.9 18.2 1.0 O B:HOH306 4.1 45.3 1.0 CG B:HIS92 4.1 20.0 1.0 NE2 B:HIS111 4.2 8.0 1.0 ND1 B:HIS92 4.2 21.9 1.0 CG B:HIS94 4.3 19.4 1.0 CD2 B:HIS111 4.3 9.3 1.0 ND1 B:HIS94 4.4 16.9 1.0 O B:HOH470 4.6 55.9 1.0 CD B:GLU98 4.9 14.6 1.0

S.Huang, Y.Xue, E.Sauer-Eriksson, L.Chirica, S.Lindskog, B.H.Jonsson. Crystal Structure of Carbonic Anhydrase From Neisseria Gonorrhoeae and Its Complex with the Inhibitor Acetazolamide. J.Mol.Biol. V. 283 301 1998.
ISSN: ISSN 0022-2836
PubMed: 9761692
DOI: 10.1006/JMBI.1998.2077