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Zinc in PDB 4kv0: Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-Tosylureido)Pyridine-2-Sulfonamide Inhibitor

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-Tosylureido)Pyridine-2-Sulfonamide Inhibitor

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-Tosylureido)Pyridine-2-Sulfonamide Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-Tosylureido)Pyridine-2-Sulfonamide Inhibitor, PDB code: 4kv0 was solved by M.Ferraroni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.09 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.249, 41.283, 72.055, 90.00, 104.28, 90.00
R / Rfree (%) 15.8 / 17.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-Tosylureido)Pyridine-2-Sulfonamide Inhibitor (pdb code 4kv0). 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 5-(3-Tosylureido)Pyridine-2-Sulfonamide Inhibitor, PDB code: 4kv0:

Zinc binding site 1 out of 1 in 4kv0

Go back to Zinc Binding Sites List in 4kv0
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 5-(3-Tosylureido)Pyridine-2-Sulfonamide Inhibitor


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 5-(3-Tosylureido)Pyridine-2-Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:5.6
occ:1.00
 N4 A:MB7304 2.0 6.9 1.0
NE2 A:HIS94 2.1 5.2 1.0
NE2 A:HIS96 2.1 4.8 1.0
ND1 A:HIS119 2.1 4.3 1.0
CE1 A:HIS119 3.0 4.3 1.0
CD2 A:HIS94 3.0 5.2 1.0
CD2 A:HIS96 3.0 4.8 1.0
O2 A:MB7304 3.1 6.8 1.0
S1 A:MB7304 3.1 6.9 1.0
CE1 A:HIS94 3.1 5.2 1.0
CE1 A:HIS96 3.1 4.8 1.0
CG A:HIS119 3.2 4.3 1.0
CB A:HIS119 3.6 4.4 1.0
O A:HOH578 3.7 16.8 1.0
OG1 A:THR199 3.9 5.1 1.0
OE1 A:GLU106 4.0 5.2 1.0
O3 A:MB7304 4.1 7.0 1.0
NE2 A:HIS119 4.1 4.3 1.0
C5 A:MB7304 4.2 8.7 1.0
CG A:HIS94 4.2 5.1 1.0
ND1 A:HIS94 4.2 5.1 1.0
ND1 A:HIS96 4.2 4.8 1.0
CG A:HIS96 4.2 4.8 1.0
CD2 A:HIS119 4.2 4.3 1.0
C1 A:GOL302 4.3 15.0 1.0
C6 A:MB7304 4.8 9.6 1.0
N24 A:MB7304 4.9 10.5 1.0
CD A:GLU106 4.9 5.2 1.0
C2 A:GOL302 5.0 14.8 1.0

Reference:

M.Bozdag, M.Ferraroni, E.Nuti, D.Vullo, A.Rossello, F.Carta, A.Scozzafava, C.T.Supuran. Combining the Tail and the Ring Approaches For Obtaining Potent and Isoform-Selective Carbonic Anhydrase Inhibitors: Solution and X-Ray Crystallographic Studies. Bioorg.Med.Chem. V. 22 334 2014.
ISSN: ISSN 0968-0896
PubMed: 24300919
DOI: 10.1016/J.BMC.2013.11.016
Page generated: Sun Oct 27 01:23:24 2024

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