Atomistry » Zinc » PDB 4b52-4bj9 » 4bf6
Atomistry »
  Zinc »
    PDB 4b52-4bj9 »
      4bf6 »

Zinc in PDB 4bf6: Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-Triazol-4-Yl) Thiophene-2-Sulfonamide

Enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-Triazol-4-Yl) Thiophene-2-Sulfonamide

All present enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-Triazol-4-Yl) 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-(1-(3-Cyanophenyl)-1H-1,2,3-Triazol-4-Yl) Thiophene-2-Sulfonamide, PDB code: 4bf6 was solved by K.Tars, J.Leitans, R.Zalubovskis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.74 / 1.82
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.424, 41.522, 72.242, 90.00, 104.24, 90.00
R / Rfree (%) 14.464 / 20.191

Zinc Binding Sites:

The binding sites of Zinc atom in the Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-Triazol-4-Yl) Thiophene-2-Sulfonamide (pdb code 4bf6). 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-(1-(3-Cyanophenyl)-1H-1,2,3-Triazol-4-Yl) Thiophene-2-Sulfonamide, PDB code: 4bf6:

Zinc binding site 1 out of 1 in 4bf6

Go back to Zinc Binding Sites List in 4bf6
Zinc binding site 1 out of 1 in the Three Dimensional Structure of Human Carbonic Anhydrase II in Complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-Triazol-4-Yl) 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-(1-(3-Cyanophenyl)-1H-1,2,3-Triazol-4-Yl) Thiophene-2-Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1262

b:5.8
occ:1.00
 N24 A:X0Q1263 2.0 5.8 1.0
NE2 A:HIS94 2.0 4.5 1.0
NE2 A:HIS96 2.1 4.8 1.0
ND1 A:HIS119 2.1 4.8 1.0
CD2 A:HIS94 2.9 4.4 1.0
CE1 A:HIS119 3.0 4.8 1.0
CE1 A:HIS96 3.0 5.1 1.0
CE1 A:HIS94 3.0 4.6 1.0
S21 A:X0Q1263 3.1 6.1 1.0
O22 A:X0Q1263 3.1 5.9 1.0
CD2 A:HIS96 3.1 5.1 1.0
CG A:HIS119 3.2 4.4 1.0
CB A:HIS119 3.6 4.0 1.0
OG1 A:THR199 4.0 5.5 1.0
OE1 A:GLU106 4.0 5.3 1.0
CG A:HIS94 4.1 4.5 1.0
O23 A:X0Q1263 4.1 5.7 1.0
C19 A:X0Q1263 4.1 7.2 1.0
ND1 A:HIS94 4.1 4.5 1.0
NE2 A:HIS119 4.1 4.8 1.0
ND1 A:HIS96 4.2 5.0 1.0
CG A:HIS96 4.2 4.7 1.0
CD2 A:HIS119 4.2 4.6 1.0
C1 A:GOL1264 4.4 11.0 1.0
CD A:GLU106 4.9 5.1 1.0
C18 A:X0Q1263 5.0 7.3 1.0

Reference:

J.Leitans, A.Sprudza, M.Tanc, I.Vozny, R.Zalubovskis, K.Tars, C.T.Supuran. 5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, IX and XII: Solution and X-Ray Crystallographic Studies. Bioorg.Med.Chem. V. 21 5130 2013.
ISSN: ISSN 0968-0896
PubMed: 23859774
DOI: 10.1016/J.BMC.2013.06.041
Page generated: Sat Oct 26 19:42:40 2024

Last articles

Na in 3T46
Na in 3T3F
Na in 3T34
Na in 3T2O
Na in 3T0A
Na in 3T0D
Na in 3T0B
Na in 3T2J
Na in 3T2I
Na in 3T2H
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy