Zinc in PDB 7k6k: Carbonic Anhydrase II Complexed with 4-(2-(3-(3,5-Dimethylphenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide

Enzymatic activity of Carbonic Anhydrase II Complexed with 4-(2-(3-(3,5-Dimethylphenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide

All present enzymatic activity of Carbonic Anhydrase II Complexed with 4-(2-(3-(3,5-Dimethylphenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II Complexed with 4-(2-(3-(3,5-Dimethylphenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide, PDB code: 7k6k was solved by J.T.Andring, S.Singh, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.81 / 1.31
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.308, 41.386, 71.757, 90.00, 104.16, 90.00
R / Rfree (%) 18.1 / 19.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase II Complexed with 4-(2-(3-(3,5-Dimethylphenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide (pdb code 7k6k). 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 II Complexed with 4-(2-(3-(3,5-Dimethylphenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide, PDB code: 7k6k:

Zinc binding site 1 out of 1 in 7k6k

Go back to Zinc Binding Sites List in 7k6k
Zinc binding site 1 out of 1 in the Carbonic Anhydrase II Complexed with 4-(2-(3-(3,5-Dimethylphenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II Complexed with 4-(2-(3-(3,5-Dimethylphenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:7.2
occ:1.00
 N28 A:VZ1303 1.9 7.3 1.0
NE2 A:HIS94 2.0 6.4 1.0
ND1 A:HIS119 2.1 6.8 1.0
NE2 A:HIS96 2.1 6.6 1.0
CE1 A:HIS119 2.9 6.3 1.0
CD2 A:HIS94 3.0 7.5 1.0
S25 A:VZ1303 3.0 8.2 1.0
CD2 A:HIS96 3.0 5.7 1.0
O27 A:VZ1303 3.0 8.0 1.0
CE1 A:HIS94 3.1 6.1 1.0
CE1 A:HIS96 3.1 9.6 1.0
CG A:HIS119 3.1 7.1 1.0
CB A:HIS119 3.6 6.2 1.0
OG1 A:THR199 3.9 7.3 1.0
OE1 A:GLU106 4.0 8.4 1.0
O26 A:VZ1303 4.1 8.4 1.0
NE2 A:HIS119 4.1 7.5 1.0
CG A:HIS94 4.1 7.2 1.0
ND1 A:HIS94 4.2 7.5 1.0
C01 A:VZ1303 4.2 10.0 1.0
ND1 A:HIS96 4.2 8.7 1.0
CG A:HIS96 4.2 7.3 1.0
CD2 A:HIS119 4.2 6.9 1.0
C3 A:GOL301 4.4 35.9 1.0
C02 A:VZ1303 4.7 12.0 1.0
CD A:GLU106 4.9 8.9 1.0

Reference:

O.Akgul, S.Singh, J.T.Andring, R.Mckenna, S.Selleri, F.Carta, A.Angeli, C.T.Supuran. Handling Drug-Target Selectivity: A Study on Ureido Containing Carbonic Anhydrase Inhibitors. Eur.J.Med.Chem. 13035 2020.
ISSN: ISSN 0223-5234
PubMed: 33303238
DOI: 10.1016/J.EJMECH.2020.113035
Page generated: Tue Oct 29 21:17:00 2024

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