Zinc in PDB 6equ: X-Ray Crystal Structure of the Human Carbonic Anhydrase II Adduct with A Membrane-Impermeant Inhibitor

Enzymatic activity of X-Ray Crystal Structure of the Human Carbonic Anhydrase II Adduct with A Membrane-Impermeant Inhibitor

All present enzymatic activity of X-Ray Crystal Structure of the Human Carbonic Anhydrase II Adduct with A Membrane-Impermeant Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of X-Ray Crystal Structure of the Human Carbonic Anhydrase II Adduct with A Membrane-Impermeant Inhibitor, PDB code: 6equ was solved by V.Alterio, G.De Simone, D.Esposito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.30 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.141, 41.259, 71.922, 90.00, 104.17, 90.00
R / Rfree (%) 17.5 / 21

Zinc Binding Sites:

The binding sites of Zinc atom in the X-Ray Crystal Structure of the Human Carbonic Anhydrase II Adduct with A Membrane-Impermeant Inhibitor (pdb code 6equ). 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 X-Ray Crystal Structure of the Human Carbonic Anhydrase II Adduct with A Membrane-Impermeant Inhibitor, PDB code: 6equ:

Zinc binding site 1 out of 1 in 6equ

Go back to Zinc Binding Sites List in 6equ
Zinc binding site 1 out of 1 in the X-Ray Crystal Structure of the Human Carbonic Anhydrase II Adduct with A Membrane-Impermeant Inhibitor


Mono view


Stereo pair view

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

b:8.6
occ:1.00
 N2 A:BVE302 2.0 8.3 1.0
NE2 A:HIS96 2.0 6.8 1.0
NE2 A:HIS94 2.0 5.7 1.0
ND1 A:HIS119 2.1 6.8 1.0
CE1 A:HIS119 2.9 5.6 1.0
O1 A:BVE302 3.0 7.6 1.0
CD2 A:HIS96 3.0 6.8 1.0
CD2 A:HIS94 3.0 7.7 1.0
CE1 A:HIS94 3.0 6.6 1.0
CE1 A:HIS96 3.0 6.0 1.0
S1 A:BVE302 3.1 7.2 1.0
CG A:HIS119 3.2 7.1 1.0
CB A:HIS119 3.6 5.7 1.0
OG1 A:THR199 3.9 5.8 1.0
OE1 A:GLU106 3.9 6.3 1.0
O2 A:BVE302 4.1 7.8 1.0
NE2 A:HIS119 4.1 5.5 1.0
ND1 A:HIS94 4.1 7.5 1.0
ND1 A:HIS96 4.1 5.8 1.0
CG A:HIS96 4.1 7.0 1.0
CG A:HIS94 4.2 5.4 1.0
CD2 A:HIS119 4.2 5.7 1.0
C24 A:BVE302 4.3 8.3 1.0
C16 A:BVE302 4.7 33.9 1.0
C15 A:BVE302 4.9 33.2 1.0
CD A:GLU106 4.9 8.2 1.0
C29 A:BVE302 4.9 9.9 1.0

Reference:

V.Alterio, D.Esposito, S.M.Monti, C.T.Supuran, G.De Simone. Crystal Structure of the Human Carbonic Anhydrase II Adduct with 1-(4-Sulfamoylphenyl-Ethyl)-2,4,6-Triphenylpyridinium Perchlorate, A Membrane-Impermeant, Isoform Selective Inhibitor. J Enzyme Inhib Med Chem V. 33 151 2018.
ISSN: ESSN 1475-6374
PubMed: 29199489
DOI: 10.1080/14756366.2017.1405263
Page generated: Wed Dec 16 11:43:52 2020

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