Zinc in PDB 6z04: Nido-Carborane Butyl-Sulfonamide in Complex with Ca IX Mimic

Enzymatic activity of Nido-Carborane Butyl-Sulfonamide in Complex with Ca IX Mimic

All present enzymatic activity of Nido-Carborane Butyl-Sulfonamide in Complex with Ca IX Mimic:
4.2.1.1;

Protein crystallography data

The structure of Nido-Carborane Butyl-Sulfonamide in Complex with Ca IX Mimic, PDB code: 6z04 was solved by M.Kugler, J.Brynda, K.Pospisilova, P.Rezacova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.79 / 1.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.035, 41.345, 72.682, 90.00, 103.98, 90.00
R / Rfree (%) 14.1 / 15.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Nido-Carborane Butyl-Sulfonamide in Complex with Ca IX Mimic (pdb code 6z04). 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 Nido-Carborane Butyl-Sulfonamide in Complex with Ca IX Mimic, PDB code: 6z04:

Zinc binding site 1 out of 1 in 6z04

Go back to Zinc Binding Sites List in 6z04
Zinc binding site 1 out of 1 in the Nido-Carborane Butyl-Sulfonamide in Complex with Ca IX Mimic


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Nido-Carborane Butyl-Sulfonamide in Complex with Ca IX Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:8.4
occ:1.00
N1 A:Q3W302 2.0 9.6 1.0
NE2 A:HIS94 2.0 8.6 1.0
ND1 A:HIS119 2.0 8.0 1.0
NE2 A:HIS96 2.1 8.9 1.0
CE1 A:HIS119 2.9 8.7 1.0
O5 A:Q3W302 3.0 9.8 1.0
S8 A:Q3W302 3.0 9.4 1.0
CE1 A:HIS94 3.0 9.2 1.0
CD2 A:HIS94 3.0 8.8 1.0
CD2 A:HIS96 3.1 9.0 1.0
CE1 A:HIS96 3.1 9.4 1.0
CG A:HIS119 3.1 8.1 1.0
CB A:HIS119 3.6 8.3 1.0
O A:HOH555 3.7 14.3 1.0
OG1 A:THR198 3.9 9.0 1.0
OE1 A:GLU106 4.0 10.1 1.0
O9 A:Q3W302 4.1 11.1 1.0
NE2 A:HIS119 4.1 8.9 1.0
ND1 A:HIS94 4.1 9.4 1.0
ND1 A:HIS96 4.2 9.5 1.0
CG A:HIS94 4.2 8.7 1.0
C6 A:Q3W302 4.2 13.7 1.0
CG A:HIS96 4.2 8.9 1.0
CD2 A:HIS119 4.2 8.7 1.0
O A:HOH514 4.8 24.9 1.0
CD A:GLU106 4.9 9.7 1.0

Reference:

M.Kugler, J.Holub, J.Brynda, K.Pospisilova, S.E.Anwar, D.Bavol, M.Havranek, V.Kral, M.Fabry, B.Gruner, P.Rezacova. The Structural Basis For the Selectivity of Sulfonamido Dicarbaboranes Toward Cancer-Associated Carbonic Anhydrase IX. J Enzyme Inhib Med Chem V. 35 1800 2020.
ISSN: ESSN 1475-6374
PubMed: 32962427
DOI: 10.1080/14756366.2020.1816996
Page generated: Wed Dec 16 13:20:23 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy