Atomistry » Zinc » PDB 4wnt-4x3o » 4wuq
Atomistry »
  Zinc »
    PDB 4wnt-4x3o »
      4wuq »

Zinc in PDB 4wuq: Crystal Structure of Human Carbonic Anhydrase Isozyme I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide, PDB code: 4wuq was solved by E.Manakova, A.Smirnov, S.Grazulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.23 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.601, 71.204, 119.935, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 21

Other elements in 4wuq:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide also contains other interesting chemical elements:

Fluorine (F) 8 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide (pdb code 4wuq). 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 I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide, PDB code: 4wuq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4wuq

Go back to Zinc Binding Sites List in 4wuq
Zinc binding site 1 out of 2 in the Crystal Structure of Human Carbonic Anhydrase Isozyme I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide


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 I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:13.0
occ:1.00
 N4 A:3UG302 1.8 15.7 1.0
NE2 A:HIS94 2.0 12.6 1.0
ND1 A:HIS119 2.0 10.2 1.0
NE2 A:HIS96 2.1 14.3 1.0
CE1 A:HIS119 2.8 11.8 1.0
S1 A:3UG302 3.0 16.6 1.0
CD2 A:HIS96 3.0 11.6 1.0
CE1 A:HIS94 3.0 12.3 1.0
CD2 A:HIS94 3.0 11.1 1.0
O3 A:3UG302 3.0 15.1 1.0
CG A:HIS119 3.1 10.8 1.0
CE1 A:HIS96 3.1 11.8 1.0
CB A:HIS119 3.6 10.5 1.0
OG1 A:THR199 4.0 13.9 1.0
O2 A:3UG302 4.0 16.0 1.0
OE2 A:GLU106 4.0 16.0 1.0
NE2 A:HIS119 4.0 10.1 1.0
ND1 A:HIS94 4.2 12.0 1.0
CG A:HIS94 4.2 11.5 1.0
CG A:HIS96 4.2 10.4 1.0
CD2 A:HIS119 4.2 12.4 1.0
ND1 A:HIS96 4.2 13.7 1.0
C5 A:3UG302 4.2 19.3 1.0
O A:HOH471 4.7 27.6 1.0
O A:HOH473 4.7 16.4 1.0
F8 A:3UG302 4.9 21.0 1.0
C6 A:3UG302 4.9 20.1 1.0
CH2 A:TRP209 5.0 12.4 1.0
CD A:GLU106 5.0 14.9 1.0

Zinc binding site 2 out of 2 in 4wuq

Go back to Zinc Binding Sites List in 4wuq
Zinc binding site 2 out of 2 in the Crystal Structure of Human Carbonic Anhydrase Isozyme I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide


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 I with 2,3,5,6- Tetrafluoro-4-Piperidin-1-Ylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:12.2
occ:1.00
 N4 B:3UG302 1.9 14.2 1.0
NE2 B:HIS94 1.9 12.2 1.0
NE2 B:HIS96 2.0 12.0 1.0
ND1 B:HIS119 2.0 9.4 1.0
CE1 B:HIS119 2.9 11.2 1.0
CD2 B:HIS94 2.9 13.1 1.0
O3 B:3UG302 3.0 15.4 1.0
CD2 B:HIS96 3.0 11.2 1.0
CE1 B:HIS94 3.0 13.0 1.0
S1 B:3UG302 3.0 16.6 1.0
CE1 B:HIS96 3.1 10.8 1.0
CG B:HIS119 3.1 10.6 1.0
CB B:HIS119 3.6 10.6 1.0
OG1 B:THR199 4.0 12.6 1.0
OE2 B:GLU106 4.0 15.8 1.0
O2 B:3UG302 4.0 15.8 1.0
ND1 B:HIS94 4.1 12.6 1.0
NE2 B:HIS119 4.1 10.5 1.0
CG B:HIS94 4.1 12.2 1.0
CG B:HIS96 4.2 10.7 1.0
ND1 B:HIS96 4.2 12.2 1.0
CD2 B:HIS119 4.2 10.6 1.0
C5 B:3UG302 4.3 20.8 1.0
O B:HOH481 4.5 22.5 1.0
O B:HOH476 4.6 15.0 1.0
F8 B:3UG302 4.9 23.3 1.0
CH2 B:TRP209 5.0 12.2 1.0
C6 B:3UG302 5.0 21.7 1.0

Reference:

A.Zubriene, J.Smirnoviene, A.Smirnov, V.Morkunaite, V.Michailoviene, J.Jachno, V.Juozapaitiene, P.Norvaisas, E.Manakova, S.Grazulis, D.Matulis. Intrinsic Thermodynamics of 4-Substituted-2,3,5,6-Tetrafluorobenzenesulfonamide Binding to Carbonic Anhydrases By Isothermal Titration Calorimetry. Biophys.Chem. V. 205 51 2015.
ISSN: ISSN 0301-4622
PubMed: 26079542
DOI: 10.1016/J.BPC.2015.05.009
Page generated: Sun Oct 27 10:04:54 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy