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Chlorine in PDB 6c7x: Carbonic Anhydrase 2 in Complex with 2-Chloro-5'-O-Sulfamoyladenosine

Enzymatic activity of Carbonic Anhydrase 2 in Complex with 2-Chloro-5'-O-Sulfamoyladenosine

All present enzymatic activity of Carbonic Anhydrase 2 in Complex with 2-Chloro-5'-O-Sulfamoyladenosine:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase 2 in Complex with 2-Chloro-5'-O-Sulfamoyladenosine, PDB code: 6c7x was solved by T.S.Peat, P.Mujumdar, S.A.Poulsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.40 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.311, 41.425, 72.424, 90.00, 104.51, 90.00
R / Rfree (%) 15.4 / 18.8

Other elements in 6c7x:

The structure of Carbonic Anhydrase 2 in Complex with 2-Chloro-5'-O-Sulfamoyladenosine also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Carbonic Anhydrase 2 in Complex with 2-Chloro-5'-O-Sulfamoyladenosine (pdb code 6c7x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Carbonic Anhydrase 2 in Complex with 2-Chloro-5'-O-Sulfamoyladenosine, PDB code: 6c7x:

Chlorine binding site 1 out of 1 in 6c7x

Go back to Chlorine Binding Sites List in 6c7x
Chlorine binding site 1 out of 1 in the Carbonic Anhydrase 2 in Complex with 2-Chloro-5'-O-Sulfamoyladenosine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Carbonic Anhydrase 2 in Complex with 2-Chloro-5'-O-Sulfamoyladenosine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:39.7
occ:0.90
 CL A:EO7302 0.0 39.7 0.9
C26 A:EO7302 1.7 31.2 0.9
N25 A:EO7302 2.5 26.6 0.9
N28 A:EO7302 2.6 25.5 0.9
CG2 A:VAL135 3.4 11.0 1.0
C21 A:EO7302 3.7 20.7 0.9
CE1 A:PHE131 3.8 13.6 1.0
C23 A:EO7302 3.8 23.3 0.9
O A:HOH624 3.8 33.6 1.0
CG1 A:VAL135 3.9 10.2 1.0
CB A:VAL135 4.2 10.3 1.0
CD1 A:PHE131 4.2 12.6 1.0
C22 A:EO7302 4.2 21.5 0.9
O A:HOH488 4.4 23.9 1.0
CD1 A:LEU204 4.7 11.2 1.0
CZ A:PHE131 4.8 12.6 1.0
CA A:GLY132 4.9 10.5 1.0
N24 A:EO7302 4.9 23.6 0.9
N18 A:EO7302 5.0 17.3 0.9

Reference:

P.Mujumdar, S.Bua, C.T.Supuran, T.S.Peat, S.A.Poulsen. Synthesis, Structure and Bioactivity of Primary Sulfamate-Containing Natural Products. Bioorg. Med. Chem. Lett. V. 28 3009 2018.
ISSN: ESSN 1464-3405
PubMed: 29685656
DOI: 10.1016/J.BMCL.2018.04.038
Page generated: Fri Jul 26 23:21:33 2024

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