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Zinc in PDB 6g3q: Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor Famotidine

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor Famotidine

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor Famotidine:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor Famotidine, PDB code: 6g3q was solved by M.Ferraroni, C.T.Supuran, A.Angeli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.00 / 1.01
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.316, 41.439, 72.112, 90.00, 104.34, 90.00
R / Rfree (%) 12.7 / 15.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor Famotidine (pdb code 6g3q). 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 Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor Famotidine, PDB code: 6g3q:

Zinc binding site 1 out of 1 in 6g3q

Go back to Zinc Binding Sites List in 6g3q
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor Famotidine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor Famotidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:8.1
occ:1.00
 N6 A:FO9302 2.0 9.0 0.5
N6 A:FO9302 2.0 9.7 0.5
NE2 A:HIS94 2.0 8.3 1.0
NE2 A:HIS96 2.1 8.4 1.0
ND1 A:HIS119 2.1 8.2 1.0
CE1 A:HIS119 2.9 8.5 1.0
CD2 A:HIS94 3.0 8.4 1.0
CD2 A:HIS96 3.0 8.6 1.0
O A:FO9302 3.0 9.9 0.5
S2 A:FO9302 3.0 9.5 0.5
CE1 A:HIS94 3.0 8.4 1.0
CE1 A:HIS96 3.0 9.3 1.0
S2 A:FO9302 3.1 12.3 0.5
O A:FO9302 3.1 11.1 0.5
CG A:HIS119 3.1 7.7 1.0
CB A:HIS119 3.6 8.0 1.0
C3 A:GOL303 3.7 16.6 0.7
N5 A:FO9302 3.9 11.5 0.5
OG1 A:THR199 3.9 8.4 1.0
O3 A:GOL303 3.9 19.9 0.7
O1 A:FO9302 4.0 10.3 0.5
OE1 A:GLU106 4.0 8.6 1.0
NE2 A:HIS119 4.1 8.2 1.0
ND1 A:HIS94 4.1 8.8 1.0
ND1 A:HIS96 4.2 9.6 1.0
CG A:HIS94 4.2 8.3 1.0
CG A:HIS96 4.2 8.5 1.0
O1 A:FO9302 4.2 10.1 0.5
CD2 A:HIS119 4.2 7.9 1.0
N5 A:FO9302 4.3 15.4 0.5
C A:FO9302 4.7 13.7 0.5
C2 A:GOL303 4.9 14.9 0.7
N A:FO9302 4.9 15.1 0.5
CD A:GLU106 4.9 8.4 1.0

Reference:

A.Angeli, M.Ferraroni, C.T.Supuran. Famotidine, An Antiulcer Agent, Strongly Inhibitshelicobacter Pyloriand Human Carbonic Anhydrases. Acs Med Chem Lett V. 9 1035 2018.
ISSN: ISSN 1948-5875
PubMed: 30344913
DOI: 10.1021/ACSMEDCHEMLETT.8B00334
Page generated: Mon Oct 28 21:35:53 2024

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