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Zinc in PDB 4ruy: Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- Propoxybenzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- Propoxybenzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- Propoxybenzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- Propoxybenzenesulfonamide, PDB code: 4ruy 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) 19.87 / 1.14
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.271, 41.107, 71.663, 90.00, 104.29, 90.00
R / Rfree (%) 20.1 / 21.6

Zinc Binding Sites:

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

Zinc binding site 1 out of 1 in 4ruy

Go back to Zinc Binding Sites List in 4ruy
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with 4- Propoxybenzenesulfonamide


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

b:3.7
occ:0.96
 HAT A:3W6302 1.6 22.2 1.0
HAS A:3W6302 1.6 22.2 1.0
NAK A:3W6302 1.9 5.6 1.0
NE2 A:HIS94 2.0 4.8 1.0
NE2 A:HIS96 2.0 4.9 1.0
ND1 A:HIS119 2.0 4.6 1.0
HAK A:3W6302 2.7 22.2 1.0
CE1 A:HIS119 2.9 4.5 1.0
CD2 A:HIS94 3.0 4.9 1.0
CD2 A:HIS96 3.0 4.9 1.0
SAG A:3W6302 3.0 5.7 1.0
CE1 A:HIS94 3.0 4.8 1.0
OAJ A:3W6302 3.0 5.7 1.0
CE1 A:HIS96 3.0 5.2 1.0
CG A:HIS119 3.1 4.5 1.0
CB A:HIS119 3.6 4.6 1.0
H32 A:GOL308 3.8 7.8 0.9
OG1 A:THR199 3.9 5.0 1.0
OE1 A:GLU106 4.0 5.0 1.0
OAI A:3W6302 4.1 5.6 1.0
NE2 A:HIS119 4.1 4.5 1.0
H31 A:GOL308 4.1 7.8 0.9
ND1 A:HIS94 4.1 5.1 1.0
CG A:HIS94 4.1 5.2 1.0
ND1 A:HIS96 4.1 5.3 1.0
CG A:HIS96 4.2 5.1 1.0
CAA A:3W6302 4.2 5.8 1.0
CD2 A:HIS119 4.2 4.4 1.0
C3 A:GOL308 4.5 7.3 0.9
H2 A:GOL308 4.5 6.9 0.9
HAF A:3W6302 4.5 22.2 1.0
CAF A:3W6302 4.7 5.8 1.0
CD A:GLU106 4.9 5.2 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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