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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 6y74:

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

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

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 6y74

Go back to Chlorine Binding Sites List in 6y74
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 6y74

Go back to Chlorine Binding Sites List in 6y74
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 6y74

Go back to Chlorine Binding Sites List in 6y74
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

Reference:

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
Page generated: Sat Dec 12 14:39:06 2020

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