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Zinc in PDB 5mjn: Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-[(4CHLOROBENZYL)Sulfanyl]Thiophene-2-Sulfonamide

Enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-[(4CHLOROBENZYL)Sulfanyl]Thiophene-2-Sulfonamide

All present enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-[(4CHLOROBENZYL)Sulfanyl]Thiophene-2-Sulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-[(4CHLOROBENZYL)Sulfanyl]Thiophene-2-Sulfonamide, PDB code: 5mjn was solved by J.Leitans, K.Tars, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.00 / 1.17
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.360, 41.320, 72.250, 90.00, 104.48, 90.00
R / Rfree (%) 14 / 17.3

Other elements in 5mjn:

The structure of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-[(4CHLOROBENZYL)Sulfanyl]Thiophene-2-Sulfonamide also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-[(4CHLOROBENZYL)Sulfanyl]Thiophene-2-Sulfonamide (pdb code 5mjn). 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 Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-[(4CHLOROBENZYL)Sulfanyl]Thiophene-2-Sulfonamide, PDB code: 5mjn:

Zinc binding site 1 out of 1 in 5mjn

Go back to Zinc Binding Sites List in 5mjn
Zinc binding site 1 out of 1 in the Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-[(4CHLOROBENZYL)Sulfanyl]Thiophene-2-Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-[(4CHLOROBENZYL)Sulfanyl]Thiophene-2-Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:14.8
occ:1.00
N4 A:7O8302 1.8 11.7 1.0
NE2 A:HIS94 2.0 11.7 1.0
ND1 A:HIS119 2.0 8.4 1.0
NE2 A:HIS96 2.0 11.2 1.0
CE1 A:HIS119 2.9 9.2 1.0
CE1 A:HIS94 3.0 12.7 1.0
CD2 A:HIS94 3.0 10.3 1.0
CD2 A:HIS96 3.0 9.4 1.0
S1 A:7O8302 3.0 12.4 1.0
CE1 A:HIS96 3.1 10.1 1.0
O3 A:7O8302 3.1 14.2 1.0
CG A:HIS119 3.1 9.2 1.0
CB A:HIS119 3.6 8.4 1.0
O A:HOH608 3.7 27.3 1.0
OG1 A:THR199 3.8 9.4 1.0
OE1 A:GLU106 4.0 9.6 1.0
NE2 A:HIS119 4.1 9.7 1.0
C7 A:7O8302 4.1 16.0 1.0
ND1 A:HIS94 4.1 10.6 1.0
O2 A:7O8302 4.1 14.4 1.0
CG A:HIS94 4.1 9.4 1.0
ND1 A:HIS96 4.2 10.0 1.0
CG A:HIS96 4.2 9.3 1.0
CD2 A:HIS119 4.2 8.9 1.0
C8 A:7O8302 4.9 13.4 1.0
CD A:GLU106 4.9 9.4 1.0

Reference:

J.Ivanova, A.Balode, R.Zalubovskis, J.Leitans, A.Kazaks, D.Vullo, K.Tars, C.T.Supuran. 5-Substituted-Benzylsulfanyl-Thiophene-2-Sulfonamides with Effective Carbonic Anhydrase Inhibitory Activity: Solution and Crystallographic Investigations. Bioorg. Med. Chem. V. 25 857 2017.
ISSN: ESSN 1464-3391
PubMed: 28024887
DOI: 10.1016/J.BMC.2016.11.045
Page generated: Wed Dec 16 06:33:11 2020

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