Zinc in PDB 7aes: Human Carbonic Anhydrase II in Complex with 2,3,5,6-Tetrafluoro-N- Methyl-4-Propylsulfanyl-Benzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with 2,3,5,6-Tetrafluoro-N- Methyl-4-Propylsulfanyl-Benzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 2,3,5,6-Tetrafluoro-N- Methyl-4-Propylsulfanyl-Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 2,3,5,6-Tetrafluoro-N- Methyl-4-Propylsulfanyl-Benzenesulfonamide, PDB code: 7aes was solved by V.Paketuryte, A.Smirnov, E.Manakova, S.Grazulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.91 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.165, 40.995, 71.752, 90, 104, 90
R / Rfree (%) 17 / 20.9

Other elements in 7aes:

The structure of Human Carbonic Anhydrase II in Complex with 2,3,5,6-Tetrafluoro-N- Methyl-4-Propylsulfanyl-Benzenesulfonamide also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Sodium (Na) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with 2,3,5,6-Tetrafluoro-N- Methyl-4-Propylsulfanyl-Benzenesulfonamide (pdb code 7aes). 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 Human Carbonic Anhydrase II in Complex with 2,3,5,6-Tetrafluoro-N- Methyl-4-Propylsulfanyl-Benzenesulfonamide, PDB code: 7aes:

Zinc binding site 1 out of 1 in 7aes

Go back to Zinc Binding Sites List in 7aes
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with 2,3,5,6-Tetrafluoro-N- Methyl-4-Propylsulfanyl-Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II in Complex with 2,3,5,6-Tetrafluoro-N- Methyl-4-Propylsulfanyl-Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:11.7
occ:1.00
 N9 A:R8Q302 1.9 17.0 1.0
NE2 A:HIS94 2.0 11.0 1.0
NE2 A:HIS96 2.0 11.9 1.0
ND1 A:HIS119 2.1 10.4 1.0
CE1 A:HIS119 3.0 11.4 1.0
CE1 A:HIS94 3.0 11.4 1.0
CD2 A:HIS94 3.0 13.1 1.0
CE1 A:HIS96 3.0 13.4 1.0
CD2 A:HIS96 3.0 11.9 1.0
S7 A:R8Q302 3.1 28.1 1.0
CG A:HIS119 3.1 10.7 1.0
O8 A:R8Q302 3.1 29.9 1.0
C19 A:R8Q302 3.2 18.2 1.0
CB A:HIS119 3.6 10.6 1.0
OG1 A:THR199 3.8 11.7 1.0
OE1 A:GLU106 4.0 12.3 1.0
NE2 A:HIS119 4.1 12.0 1.0
C1 A:R8Q302 4.1 32.7 1.0
CG A:HIS94 4.1 11.8 1.0
ND1 A:HIS94 4.2 12.2 1.0
ND1 A:HIS96 4.2 11.8 1.0
CG A:HIS96 4.2 11.3 1.0
CD2 A:HIS119 4.2 11.9 1.0
O10 A:R8Q302 4.3 28.2 1.0
O A:HOH475 4.5 24.0 1.0
F11 A:R8Q302 4.6 55.2 1.0
C2 A:R8Q302 4.7 46.0 1.0
C6 A:R8Q302 4.9 37.0 1.0
F12 A:R8Q302 4.9 43.6 1.0
CD A:GLU106 5.0 13.1 1.0

Reference:

D.Baronas, V.Dudutiene, V.Paketuryte, V.Kairys, A.Smirnov, V.Juozapaitiene, A.Vaskevicius, E.Manakova, S.Grazulis, A.Zubriene, D.Matulis. Structure and Mechanism of Secondary Sulfonamide Binding to Carbonic Anhydrases. Eur.Biophys.J. 2021.
ISSN: ISSN 0175-7571
PubMed: 34328515
DOI: 10.1007/S00249-021-01561-1
Page generated: Fri Sep 24 17:03:11 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy