Atomistry » Zinc » PDB 6r55-6rda » 6r71
Atomistry »
  Zinc »
    PDB 6r55-6rda »
      6r71 »

Zinc in PDB 6r71: Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide, PDB code: 6r71 was solved by 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) 36.50 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.085, 70.835, 74.905, 90.00, 105.50, 90.00
R / Rfree (%) 15.3 / 21

Other elements in 6r71:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide (pdb code 6r71). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide, PDB code: 6r71:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6r71

Go back to Zinc Binding Sites List in 6r71
Zinc binding site 1 out of 2 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide


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 Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:8.9
occ:1.00
 N1 A:JTW303 2.0 9.2 1.0
NE2 A:HIS93 2.0 6.7 1.0
NE2 A:HIS91 2.0 7.0 1.0
ND1 A:HIS117 2.1 6.0 1.0
O4 A:JTW303 2.9 8.2 1.0
CE1 A:HIS91 2.9 7.0 1.0
CE1 A:HIS93 3.0 6.6 1.0
CE1 A:HIS117 3.0 5.8 1.0
S2 A:JTW303 3.0 9.3 1.0
CD2 A:HIS93 3.0 6.8 1.0
CD2 A:HIS91 3.1 6.8 1.0
CG A:HIS117 3.1 6.2 1.0
CB A:HIS117 3.5 6.4 1.0
OG1 A:THR198 3.8 8.7 1.0
OE1 A:GLU104 3.9 9.1 1.0
ND1 A:HIS91 4.1 6.5 1.0
ND1 A:HIS93 4.1 6.6 1.0
C5 A:JTW303 4.1 10.6 1.0
C10 A:JTW303 4.1 12.4 1.0
CG A:HIS93 4.1 7.1 1.0
NE2 A:HIS117 4.1 5.7 1.0
O3 A:JTW303 4.2 8.8 1.0
CG A:HIS91 4.2 6.4 1.0
CD2 A:HIS117 4.2 5.8 1.0
O17 A:JTW303 4.9 29.9 1.0
CD A:GLU104 4.9 8.9 1.0
CA A:HIS117 4.9 7.0 1.0

Zinc binding site 2 out of 2 in 6r71

Go back to Zinc Binding Sites List in 6r71
Zinc binding site 2 out of 2 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 2- (Benzenesulfonyl)-4-Chloro-N-(2-Hydroxyethyl)-5-Sulfamoyl-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:8.8
occ:1.00
 N1 B:JTW302 1.9 11.5 1.0
ND1 B:HIS117 2.0 8.2 1.0
NE2 B:HIS93 2.0 7.5 1.0
NE2 B:HIS91 2.1 7.8 1.0
CE1 B:HIS117 2.9 7.7 1.0
CD2 B:HIS93 2.9 7.7 1.0
O4 B:JTW302 2.9 11.0 1.0
CE1 B:HIS91 3.0 7.7 1.0
S2 B:JTW302 3.0 11.7 1.0
CD2 B:HIS91 3.0 7.8 1.0
CE1 B:HIS93 3.1 7.9 1.0
CG B:HIS117 3.1 7.9 1.0
CB B:HIS117 3.5 8.1 1.0
OE1 B:GLU104 3.8 10.8 1.0
OG1 B:THR198 3.8 7.9 1.0
C10 B:JTW302 4.0 12.5 1.0
NE2 B:HIS117 4.0 7.4 1.0
C5 B:JTW302 4.1 12.0 1.0
CG B:HIS93 4.1 7.8 1.0
ND1 B:HIS93 4.1 8.2 1.0
CD2 B:HIS117 4.1 7.6 1.0
ND1 B:HIS91 4.1 7.7 1.0
O3 B:JTW302 4.2 10.9 1.0
CG B:HIS91 4.2 7.7 1.0
CD B:GLU104 4.8 10.5 1.0
CH2 B:TRP208 5.0 8.2 1.0
CA B:HIS117 5.0 8.7 1.0

Reference:

A.Zaksauskas, E.Capkauskaite, L.Jezepcikas, V.Linkuviene, V.Paketuryte, A.Smirnov, J.Leitans, A.Kazaks, E.Dvinskis, E.Manakova, S.Grazulis, K.Tars, D.Matulis. Halogenated and Di-Substituted Benzenesulfonamides As Selective Inhibitors of Carbonic Anhydrase Isoforms. Eur.J.Med.Chem. V. 185 11825 2020.
ISSN: ISSN 0223-5234
PubMed: 31740053
DOI: 10.1016/J.EJMECH.2019.111825
Page generated: Tue Oct 29 06:05:06 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy