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Zinc in PDB 5e2r: The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A 1,1'-Biphenyl-4-Sulfonamide Inhibitor

Enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A 1,1'-Biphenyl-4-Sulfonamide Inhibitor

All present enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A 1,1'-Biphenyl-4-Sulfonamide Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A 1,1'-Biphenyl-4-Sulfonamide Inhibitor, PDB code: 5e2r was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.229, 41.340, 71.804, 90.00, 104.27, 90.00
R / Rfree (%) 17.2 / 19.7

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A 1,1'-Biphenyl-4-Sulfonamide Inhibitor (pdb code 5e2r). 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 The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A 1,1'-Biphenyl-4-Sulfonamide Inhibitor, PDB code: 5e2r:

Zinc binding site 1 out of 1 in 5e2r

Go back to Zinc Binding Sites List in 5e2r
Zinc binding site 1 out of 1 in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A 1,1'-Biphenyl-4-Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with A 1,1'-Biphenyl-4-Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:9.1
occ:1.00
 N2 A:520302 2.0 8.0 1.0
NE2 A:HIS94 2.0 6.4 1.0
NE2 A:HIS96 2.0 6.0 1.0
ND1 A:HIS119 2.0 7.3 1.0
CE1 A:HIS119 2.9 5.5 1.0
CD2 A:HIS96 3.0 7.8 1.0
CD2 A:HIS94 3.0 8.3 1.0
O2 A:520302 3.0 6.7 1.0
CE1 A:HIS94 3.0 6.6 1.0
CE1 A:HIS96 3.1 6.0 1.0
S2 A:520302 3.1 8.1 1.0
CG A:HIS119 3.1 6.2 1.0
CB A:HIS119 3.6 6.1 1.0
OG1 A:THR199 3.9 7.0 1.0
OE1 A:GLU106 3.9 7.8 1.0
O3 A:520302 4.1 8.1 1.0
NE2 A:HIS119 4.1 6.9 1.0
CG A:HIS96 4.1 6.6 1.0
CG A:HIS94 4.1 7.5 1.0
ND1 A:HIS94 4.2 7.2 1.0
ND1 A:HIS96 4.2 7.1 1.0
CD2 A:HIS119 4.2 4.6 1.0
C13 A:520302 4.3 10.1 1.0
C3 A:GOL303 4.4 16.2 1.0
C8 A:520302 4.9 11.7 1.0
CD A:GLU106 4.9 7.7 1.0
C2 A:GOL303 5.0 15.9 1.0

Reference:

G.La Regina, A.Coluccia, V.Famiglini, S.Pelliccia, L.Monti, D.Vullo, E.Nuti, V.Alterio, G.De Simone, S.M.Monti, P.Pan, S.Parkkila, C.T.Supuran, A.Rossello, R.Silvestri. Discovery of 1,1'-Biphenyl-4-Sulfonamides As A New Class of Potent and Selective Carbonic Anhydrase Xiv Inhibitors. J.Med.Chem. V. 58 8564 2015.
ISSN: ISSN 0022-2623
PubMed: 26497049
DOI: 10.1021/ACS.JMEDCHEM.5B01144
Page generated: Sun Oct 27 14:58:38 2024

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