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Zinc 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:

Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was determined in the Carbonic Anhydrase 2 in Complex with 2-Chloro-5'-O-Sulfamoyladenosine, PDB code: 6c7x:

Zinc binding site 1 out of 1 in 6c7x

Go back to Zinc Binding Sites List in 6c7x
Zinc 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 Zinc with other atoms in the Zn 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:Zn301

b:6.6
occ:1.00
 N13 A:EO7302 1.9 6.4 0.9
NE2 A:HIS96 2.0 6.1 1.0
NE2 A:HIS94 2.0 6.9 1.0
ND1 A:HIS119 2.0 6.1 1.0
CE1 A:HIS119 2.9 5.7 1.0
CD2 A:HIS94 3.0 7.2 1.0
CD2 A:HIS96 3.0 6.2 1.0
CE1 A:HIS96 3.0 6.3 1.0
CE1 A:HIS94 3.0 7.3 1.0
S11 A:EO7302 3.1 7.4 0.9
CG A:HIS119 3.1 5.8 1.0
O14 A:EO7302 3.2 7.8 0.9
CB A:HIS119 3.6 6.0 1.0
OG1 A:THR199 3.9 6.3 1.0
OE1 A:GLU106 4.0 6.7 1.0
NE2 A:HIS119 4.1 5.9 1.0
O12 A:EO7302 4.1 7.6 0.9
ND1 A:HIS96 4.1 6.9 1.0
CG A:HIS96 4.1 5.9 1.0
CG A:HIS94 4.1 6.9 1.0
ND1 A:HIS94 4.1 7.3 1.0
O10 A:EO7302 4.2 11.3 0.9
CD2 A:HIS119 4.2 5.8 1.0
O A:HOH651 4.3 35.3 1.0
C9 A:EO7302 4.4 12.8 0.9
CD A:GLU106 5.0 7.3 1.0

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: Mon Oct 28 18:34:48 2024

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