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Chlorine in PDB 5dvx: Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution

Enzymatic activity of Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution

All present enzymatic activity of Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution, PDB code: 5dvx was solved by B.P.Mahon, L.Socorro, J.M.Driscoll, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.84 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.877, 102.744, 108.964, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 19.1

Other elements in 5dvx:

The structure of Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution (pdb code 5dvx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution, PDB code: 5dvx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5dvx

Go back to Chlorine Binding Sites List in 5dvx
Chlorine binding site 1 out of 3 in the Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:22.1
occ:1.00
N A:ARG159 3.2 13.1 1.0
NE2 A:GLN338 3.4 12.8 1.0
CG A:ARG159 3.8 24.6 0.6
CB A:ARG159 3.8 19.1 0.6
CB A:ARG159 3.8 19.8 0.4
CG A:ARG159 3.9 25.1 0.4
CA A:GLY158 4.0 13.4 1.0
OE1 A:GLN338 4.1 12.2 1.0
CA A:ARG159 4.1 14.9 1.0
C A:GLY158 4.1 15.1 1.0
CD A:GLN338 4.2 11.3 1.0
CD1 A:PHE160 4.3 18.1 1.0
CD A:ARG159 4.4 29.6 0.6
CE1 A:PHE160 4.6 17.0 1.0
N A:PHE160 4.6 10.2 1.0
O A:HOH670 4.7 24.4 1.0
C A:ARG159 4.8 12.3 1.0
O A:HOH739 5.0 25.0 1.0

Chlorine binding site 2 out of 3 in 5dvx

Go back to Chlorine Binding Sites List in 5dvx
Chlorine binding site 2 out of 3 in the Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:21.1
occ:1.00
O A:HOH579 3.1 15.6 1.0
O A:HOH594 3.1 15.6 1.0
O B:HOH543 3.2 23.3 1.0
O B:HOH679 3.3 16.9 1.0
O B:HOH711 3.4 17.4 0.4
CB A:GLU242 3.6 13.9 1.0
CA A:GLU242 3.8 9.5 1.0
CG A:GLU242 3.9 14.3 1.0
NE A:ARG167 3.9 21.4 1.0
O A:GLU242 4.2 13.3 1.0
C A:GLU242 4.2 12.4 1.0
O B:ASP146 4.2 21.5 1.0
CG A:ARG167 4.3 16.2 1.0
CA B:TRP141 4.3 14.2 1.0
CD A:GLU242 4.4 24.4 1.0
CD A:ARG167 4.4 17.5 1.0
CZ A:ARG167 4.7 27.4 1.0
O A:HOH560 4.7 16.2 1.0
NH2 A:ARG167 4.8 27.5 1.0
O B:HOH711 4.8 29.1 0.6
OE2 A:GLU242 4.8 22.2 1.0
OE1 A:GLU242 4.9 16.9 1.0
N B:ARG142 4.9 13.5 1.0
NE B:ARG142 4.9 13.8 1.0
N B:TRP141 4.9 13.6 1.0
C B:TRP141 5.0 13.0 1.0
CB A:ARG167 5.0 13.5 1.0

Chlorine binding site 3 out of 3 in 5dvx

Go back to Chlorine Binding Sites List in 5dvx
Chlorine binding site 3 out of 3 in the Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Catalytic-Domain of Human Carbonic Anhydrase IX at 1.6 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:14.6
occ:1.00
NE B:ARG159 3.2 13.1 1.0
N B:ARG159 3.3 9.5 1.0
NH1 B:ARG159 3.6 13.1 1.0
NE2 B:GLN338 3.6 14.9 1.0
CZ B:ARG159 3.9 10.8 1.0
CA B:GLY158 3.9 12.9 1.0
CB B:ARG159 3.9 13.9 1.0
CG B:ARG159 4.0 15.9 1.0
C B:GLY158 4.1 9.4 1.0
CA B:ARG159 4.2 9.8 1.0
OE1 B:GLN338 4.2 12.0 1.0
CD B:ARG159 4.2 14.5 1.0
CD B:GLN338 4.3 11.8 1.0
CD1 B:PHE160 4.4 14.2 1.0
CE1 B:PHE160 4.7 15.8 1.0
N B:PHE160 4.8 11.8 1.0
O B:HOH604 4.9 25.5 1.0
O B:HOH681 5.0 17.0 1.0
C B:ARG159 5.0 10.9 1.0

Reference:

B.P.Mahon, A.Bhatt, L.Socorro, J.M.Driscoll, C.Okoh, C.L.Lomelino, M.Y.Mboge, J.J.Kurian, C.Tu, M.Agbandje-Mckenna, S.C.Frost, R.Mckenna. The Structure of Carbonic Anhydrase IX Is Adapted For Low-pH Catalysis. Biochemistry V. 55 4642 2016.
ISSN: ISSN 0006-2960
PubMed: 27439028
DOI: 10.1021/ACS.BIOCHEM.6B00243
Page generated: Sat Dec 12 11:39:51 2020

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