Zinc in PDB 6y74: X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain.

All present enzymatic activity of X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain.:
4.2.1.1;

The structure of X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain., PDB code: 6y74 was solved by S.Z.Fisher, K.Koruza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.13 / 1.53
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.930, 78.340, 74.320, 90.00, 128.22, 90.00
R / Rfree (%)	17.4 / 19.8

The structure of X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain. also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Zinc atom in the X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain. (pdb code 6y74). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain., PDB code: 6y74:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn504 b:13.5 occ:1.00 NE2 A:HIS226 2.0 9.7 1.0 ND1 A:HIS251 2.1 13.6 1.0 NE2 A:HIS228 2.1 11.5 1.0 O A:ACT507 2.2 22.1 1.0 CH3 A:ACT507 2.4 16.7 1.0 C A:ACT507 2.5 30.7 1.0 CE1 A:HIS251 2.9 11.4 1.0 CD2 A:HIS226 3.0 13.3 1.0 CE1 A:HIS226 3.0 12.3 1.0 CD2 A:HIS228 3.0 11.2 1.0 CE1 A:HIS228 3.1 14.2 1.0 CG A:HIS251 3.2 11.4 1.0 CB A:HIS251 3.6 11.8 1.0 OXT A:ACT507 3.7 26.8 1.0 O A:HOH665 3.7 26.6 1.0 OG1 A:THR332 3.9 15.6 1.0 OE2 A:GLU238 3.9 17.7 1.0 NE2 A:HIS251 4.1 12.8 1.0 ND1 A:HIS226 4.1 12.6 1.0 CG A:HIS226 4.1 12.1 1.0 ND1 A:HIS228 4.2 14.7 1.0 CG A:HIS228 4.2 11.4 1.0 CD2 A:HIS251 4.2 11.9 1.0 O A:HOH817 4.8 22.1 1.0 CD A:GLU238 4.9 18.1 1.0 CH2 A:TRP342 4.9 11.7 1.0

Zinc binding site 2 out of 2 in the X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn503 b:13.3 occ:1.00 NE2 B:HIS226 2.0 8.3 1.0 ND1 B:HIS251 2.0 11.6 1.0 NE2 B:HIS228 2.1 13.3 1.0 OXT B:ACT505 2.2 25.4 1.0 CH3 B:ACT505 2.4 15.6 1.0 C B:ACT505 2.6 35.5 1.0 CE1 B:HIS251 2.9 12.5 1.0 CD2 B:HIS226 3.0 11.0 1.0 CE1 B:HIS226 3.0 13.9 1.0 CE1 B:HIS228 3.1 13.8 1.0 CD2 B:HIS228 3.1 11.4 1.0 CG B:HIS251 3.2 9.3 1.0 CB B:HIS251 3.6 9.6 1.0 O B:ACT505 3.8 29.5 1.0 O B:HOH661 3.8 26.2 1.0 OG1 B:THR332 3.9 16.7 1.0 OE2 B:GLU238 3.9 18.1 1.0 NE2 B:HIS251 4.1 12.2 1.0 ND1 B:HIS226 4.1 12.4 1.0 CG B:HIS226 4.1 12.2 1.0 ND1 B:HIS228 4.2 12.2 1.0 CD2 B:HIS251 4.2 9.7 1.0 CG B:HIS228 4.2 10.9 1.0 O B:HOH827 4.8 22.8 1.0 CD B:GLU238 4.9 16.5 1.0 CH2 B:TRP342 5.0 10.6 1.0

K.Koruza, A.B.Murray, B.P.Mahon, J.B.Hopkins, W.Knecht, R.Mckenna, S.Z.Fisher. Biophysical Characterization of Cancer-Related Carbonic Anhydrase IX Int J Mol Sci V. 21 5277 2020.
ISSN: ESSN 1422-0067
DOI: 10.3390/IJMS21155277