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Zinc in PDB 4rux: Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- (Allyloxy)Benzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- (Allyloxy)Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- (Allyloxy)Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- (Allyloxy)Benzenesulfonamide, PDB code: 4rux was solved by M.A.Pinard, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.90 / 1.14
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.367, 41.176, 71.772, 90.00, 104.32, 90.00
R / Rfree (%) 15.2 / 16.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- (Allyloxy)Benzenesulfonamide (pdb code 4rux). 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 4- (Allyloxy)Benzenesulfonamide, PDB code: 4rux:

Zinc binding site 1 out of 1 in 4rux

Go back to Zinc Binding Sites List in 4rux
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- (Allyloxy)Benzenesulfonamide


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 4- (Allyloxy)Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:4.6
occ:0.98
 HAO A:3W3302 1.5 6.6 1.0
HAP A:3W3302 1.7 6.6 1.0
NAN A:3W3302 2.0 5.5 1.0
NE2 A:HIS94 2.0 4.8 1.0
NE2 A:HIS96 2.0 5.3 1.0
ND1 A:HIS119 2.0 4.8 1.0
HAN A:3W3302 2.7 6.6 1.0
CE1 A:HIS119 2.9 5.0 1.0
CD2 A:HIS94 3.0 5.2 1.0
CD2 A:HIS96 3.0 4.9 1.0
CE1 A:HIS94 3.0 5.0 1.0
SAG A:3W3302 3.0 5.0 1.0
OAM A:3W3302 3.0 5.2 1.0
CE1 A:HIS96 3.0 5.4 1.0
CG A:HIS119 3.1 4.3 1.0
CB A:HIS119 3.6 4.9 1.0
H32 A:GOL316 3.9 10.1 0.9
OG1 A:THR199 3.9 5.4 1.0
OE1 A:GLU106 4.0 5.6 1.0
H31 A:GOL316 4.1 10.1 0.9
NE2 A:HIS119 4.1 4.7 1.0
OAL A:3W3302 4.1 5.7 1.0
ND1 A:HIS94 4.1 5.5 1.0
CG A:HIS94 4.1 4.8 1.0
ND1 A:HIS96 4.1 5.7 1.0
CG A:HIS96 4.2 5.2 1.0
CAA A:3W3302 4.2 5.7 1.0
CD2 A:HIS119 4.2 4.9 1.0
C3 A:GOL316 4.5 8.4 0.9
H2 A:GOL316 4.5 9.7 0.9
HAF A:3W3302 4.6 8.1 1.0
CAF A:3W3302 4.8 6.7 1.0
CD A:GLU106 4.9 5.0 1.0

Reference:

F.Carta, L.Di Cesare Mannelli, M.Pinard, C.Ghelardini, A.Scozzafava, R.Mckenna, C.T.Supuran. A Class of Sulfonamide Carbonic Anhydrase Inhibitors with Neuropathic Pain Modulating Effects. Bioorg.Med.Chem. V. 23 1828 2015.
ISSN: ISSN 0968-0896
PubMed: 25766630
DOI: 10.1016/J.BMC.2015.02.027
Page generated: Sun Oct 27 07:23:37 2024

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