Chlorine 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:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain., PDB code: 6y74:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl505 b:12.8 occ:1.00 N A:ALA260 3.2 12.2 1.0 NE A:ARG261 3.2 12.9 1.0 O A:HOH726 3.3 14.0 1.0 NH2 A:ARG261 3.3 13.7 1.0 N A:ARG261 3.7 12.0 1.0 CZ A:ARG261 3.7 13.9 1.0 CG A:GLU264 3.8 20.1 1.0 CA A:PHE259 3.9 13.5 1.0 CB A:GLU264 3.9 17.9 1.0 CB B:PRO208 3.9 13.8 1.0 CD1 A:PHE259 3.9 12.7 1.0 CA A:ALA260 4.0 11.7 1.0 C A:PHE259 4.0 14.1 1.0 CG B:PRO208 4.0 16.8 1.0 CA B:PRO208 4.1 10.9 1.0 CB A:ALA260 4.1 14.1 1.0 CB A:ARG261 4.1 16.2 1.0 CB A:PHE259 4.1 12.4 1.0 C A:ALA260 4.2 13.8 1.0 CG A:ARG261 4.4 13.9 1.0 CD A:ARG261 4.4 13.4 1.0 CA A:ARG261 4.4 12.3 1.0 O A:ARG261 4.5 12.7 1.0 CG A:PHE259 4.5 14.8 1.0 N B:PRO208 4.6 12.4 1.0 CD A:GLU264 4.8 29.1 1.0 O A:ALA258 4.9 17.0 1.0 CD B:PRO208 4.9 14.6 1.0 O B:HOH662 4.9 11.4 1.0 CE1 A:PHE259 5.0 14.8 1.0 C A:ARG261 5.0 10.5 1.0

Chlorine binding site 2 out of 3 in the X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 A:Cl506 b:21.6 occ:1.00 NE A:ARG159 3.0 25.4 0.4 N A:ARG159 3.2 14.0 1.0 O A:HOH823 3.3 36.0 1.0 NE2 A:GLN338 3.4 14.6 1.0 NH2 A:ARG159 3.5 28.0 0.4 CZ A:ARG159 3.7 22.1 0.4 CB A:ARG159 3.7 20.4 0.6 CG A:ARG159 3.8 21.0 0.4 CB A:ARG159 3.8 20.4 0.4 CA A:GLY158 3.9 14.2 1.0 CD A:ARG159 4.0 22.2 0.4 CA A:ARG159 4.0 15.9 0.6 CA A:ARG159 4.1 15.9 0.4 OE1 A:GLN338 4.1 13.5 1.0 C A:GLY158 4.1 12.9 1.0 CG A:ARG159 4.1 22.2 0.6 CD A:GLN338 4.1 15.2 1.0 NE A:ARG159 4.3 22.3 0.6 N A:PHE160 4.6 13.3 1.0 CD2 A:PHE160 4.7 20.3 1.0 O A:HOH606 4.7 37.3 1.0 O A:HOH724 4.8 19.1 1.0 C A:ARG159 4.8 13.6 1.0 CD A:ARG159 4.8 24.0 0.6 O A:HOH801 4.9 25.4 1.0 NH1 A:ARG159 4.9 28.2 0.4 CE2 A:PHE160 5.0 22.7 1.0

Chlorine binding site 3 out of 3 in the X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of Human Carbonic Anhydrase IX Catalytic Domain. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:14.2 occ:1.00 O B:HOH753 3.1 12.4 0.3 O B:HOH753 3.2 13.9 0.7 N B:ALA260 3.2 13.8 1.0 NE B:ARG261 3.3 14.1 1.0 NH2 B:ARG261 3.3 14.3 1.0 N B:ARG261 3.6 12.5 1.0 CZ B:ARG261 3.8 13.3 1.0 CB B:GLU264 3.9 21.4 1.0 CA B:PHE259 3.9 14.5 1.0 CD1 B:PHE259 3.9 13.7 1.0 CA B:ALA260 4.0 13.1 1.0 CG B:GLU264 4.0 22.2 1.0 CB B:ALA260 4.0 13.8 1.0 CB A:PRO208 4.0 15.8 1.0 CA A:PRO208 4.1 12.8 1.0 CB B:PHE259 4.1 11.6 1.0 CB B:ARG261 4.1 16.2 1.0 C B:PHE259 4.1 14.1 1.0 C B:ALA260 4.2 13.6 1.0 CG A:PRO208 4.3 20.4 1.0 CA B:ARG261 4.4 12.2 1.0 CG B:ARG261 4.4 11.8 1.0 CD B:ARG261 4.4 15.4 1.0 O B:ARG261 4.4 15.6 1.0 CG B:PHE259 4.5 16.1 1.0 N A:PRO208 4.6 14.1 1.0 O A:HOH694 4.9 13.8 1.0 C B:ARG261 5.0 12.6 1.0 CE1 B:PHE259 5.0 17.2 1.0 O B:ALA258 5.0 20.7 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