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Zinc in PDB 5aml: Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 2-(But-2-Yn-1-Ylsulfamoyl)-4-Sulfamoylbenzoic Acid

Enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 2-(But-2-Yn-1-Ylsulfamoyl)-4-Sulfamoylbenzoic Acid

All present enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 2-(But-2-Yn-1-Ylsulfamoyl)-4-Sulfamoylbenzoic Acid:
4.2.1.1;

Protein crystallography data

The structure of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 2-(But-2-Yn-1-Ylsulfamoyl)-4-Sulfamoylbenzoic Acid, PDB code: 5aml was solved by J.Leitans, K.Tars, R.Zalubovskis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.75 / 1.36
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.280, 41.620, 72.040, 90.00, 104.48, 90.00
R / Rfree (%) 11.795 / 16.114

Zinc Binding Sites:

The binding sites of Zinc atom in the Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 2-(But-2-Yn-1-Ylsulfamoyl)-4-Sulfamoylbenzoic Acid (pdb code 5aml). 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 Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 2-(But-2-Yn-1-Ylsulfamoyl)-4-Sulfamoylbenzoic Acid, PDB code: 5aml:

Zinc binding site 1 out of 1 in 5aml

Go back to Zinc Binding Sites List in 5aml
Zinc binding site 1 out of 1 in the Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 2-(But-2-Yn-1-Ylsulfamoyl)-4-Sulfamoylbenzoic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 2-(But-2-Yn-1-Ylsulfamoyl)-4-Sulfamoylbenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn265

b:13.4
occ:1.00
 N7 A:51J266 1.9 7.5 1.0
ND1 A:HIS119 2.0 6.5 1.0
NE2 A:HIS96 2.0 7.4 1.0
NE2 A:HIS94 2.1 7.4 1.0
CE1 A:HIS119 2.9 6.7 1.0
CD2 A:HIS96 3.0 6.7 1.0
CE1 A:HIS94 3.0 7.6 1.0
CE1 A:HIS96 3.1 7.8 1.0
CD2 A:HIS94 3.1 7.5 1.0
CG A:HIS119 3.1 6.3 1.0
S1 A:51J266 3.1 8.2 1.0
O6 A:51J266 3.4 9.2 1.0
CB A:HIS119 3.6 6.9 1.0
C8 A:51J266 3.8 9.2 1.0
OG1 A:THR199 3.8 7.1 1.0
C7 A:51J266 3.8 8.5 1.0
OE1 A:GLU106 3.9 7.3 1.0
NE2 A:HIS119 4.0 6.9 1.0
ND1 A:HIS94 4.1 7.2 1.0
CG A:HIS96 4.1 7.0 1.0
ND1 A:HIS96 4.2 8.3 1.0
CD2 A:HIS119 4.2 6.7 1.0
CG A:HIS94 4.2 6.6 1.0
O5 A:51J266 4.3 7.8 1.0
CD A:GLU106 4.8 7.0 1.0
C9 A:51J266 4.9 8.5 1.0

Reference:

J.Ivanova, J.Leitans, M.Tanc, A.Kazaks, R.Zalubovskis, C.T.Supuran, K.Tars. X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors. Chem.Commun.(Camb.) 2015.
ISSN: ESSN 1364-548X
PubMed: 25813715
DOI: 10.1039/C5CC01854D
Page generated: Wed Dec 16 06:03:49 2020

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