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Zinc in PDB 4ww6: Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide, PDB code: 4ww6 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) 40.91 / 1.06
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.214, 41.026, 71.774, 90.00, 104.29, 90.00
R / Rfree (%) 12.8 / 15.1

Other elements in 4ww6:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide 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 II with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide (pdb code 4ww6). 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 Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide, PDB code: 4ww6:

Zinc binding site 1 out of 1 in 4ww6

Go back to Zinc Binding Sites List in 4ww6
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide


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 II with 2,3,5,6- Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.9
occ:1.00
 N2 A:3TV306 1.9 8.0 1.0
NE2 A:HIS94 2.0 7.2 1.0
NE2 A:HIS96 2.0 6.8 1.0
ND1 A:HIS119 2.0 6.9 1.0
CE1 A:HIS119 2.9 7.0 1.0
CD2 A:HIS96 3.0 7.1 1.0
CD2 A:HIS94 3.0 7.4 1.0
CE1 A:HIS94 3.0 7.3 1.0
CE1 A:HIS96 3.0 8.5 1.0
S1 A:3TV306 3.0 7.5 1.0
O3 A:3TV306 3.0 8.2 1.0
CG A:HIS119 3.1 6.7 1.0
F16 A:3TV306 3.5 18.4 1.0
CB A:HIS119 3.6 7.3 1.0
OG1 A:THR199 3.9 7.3 1.0
OE1 A:GLU106 3.9 7.6 1.0
C5 A:3TV306 4.0 8.7 1.0
C10 A:3TV306 4.1 9.3 1.0
NE2 A:HIS119 4.1 7.3 1.0
ND1 A:HIS94 4.1 7.5 1.0
CG A:HIS94 4.1 7.4 1.0
ND1 A:HIS96 4.2 9.0 1.0
CG A:HIS96 4.2 7.7 1.0
O4 A:3TV306 4.2 7.6 1.0
CD2 A:HIS119 4.2 7.2 1.0
CD A:GLU106 4.9 7.4 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 10:07:34 2024

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