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Zinc in PDB 4pzh: Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4[(2-Hydroxyethyl)Sulfonyl]Benzenesulfonamide

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

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4[(2-Hydroxyethyl)Sulfonyl]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[(2-Hydroxyethyl)Sulfonyl]Benzenesulfonamide, PDB code: 4pzh 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) 40.82 / 1.06
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.098, 40.965, 71.690, 90.00, 104.14, 90.00
R / Rfree (%) 13.5 / 16.2

Other elements in 4pzh:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4[(2-Hydroxyethyl)Sulfonyl]Benzenesulfonamide also contains other interesting chemical elements:

Fluorine (F) 4 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[(2-Hydroxyethyl)Sulfonyl]Benzenesulfonamide (pdb code 4pzh). 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[(2-Hydroxyethyl)Sulfonyl]Benzenesulfonamide, PDB code: 4pzh:

Zinc binding site 1 out of 1 in 4pzh

Go back to Zinc Binding Sites List in 4pzh
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 2,3,5,6- Tetrafluoro-4[(2-Hydroxyethyl)Sulfonyl]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[(2-Hydroxyethyl)Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:6.9
occ:1.00
N10 A:V13305 1.9 8.0 1.0
NE2 A:HIS94 2.0 7.4 1.0
ND1 A:HIS119 2.0 6.6 1.0
NE2 A:HIS96 2.0 6.8 1.0
CE1 A:HIS119 2.9 7.3 1.0
CD2 A:HIS96 3.0 7.2 1.0
CD2 A:HIS94 3.0 7.5 1.0
O9 A:V13305 3.0 8.4 1.0
S7 A:V13305 3.0 7.9 1.0
CE1 A:HIS94 3.0 7.5 1.0
CE1 A:HIS96 3.1 8.1 1.0
CG A:HIS119 3.1 6.5 1.0
CB A:HIS119 3.6 7.1 1.0
O A:HOH541 3.7 25.8 1.0
OG1 A:THR199 3.9 7.2 1.0
OE1 A:GLU106 4.0 7.2 1.0
NE2 A:HIS119 4.1 6.8 1.0
O8 A:V13305 4.1 8.3 1.0
ND1 A:HIS94 4.1 7.8 1.0
CG A:HIS94 4.1 7.7 1.0
ND1 A:HIS96 4.2 8.7 1.0
CG A:HIS96 4.2 7.5 1.0
CD2 A:HIS119 4.2 7.0 1.0
C4 A:V13305 4.2 10.4 1.0
F13 A:V13305 4.9 10.9 1.0
CD A:GLU106 4.9 7.3 1.0
F12 A:V13305 5.0 16.4 1.0

Reference:

V.Dudutiene, J.Matuliene, A.Smirnov, D.D.Timm, A.Zubriene, L.Baranauskiene, V.Morkunaite, J.Smirnoviene, V.Michailoviene, V.Juozapaitiene, A.Mickeviciute, J.Kazokaite, S.Baksyte, A.Kasiliauskaite, J.Jachno, J.Revuckiene, M.Kisonaite, V.Pilipuityte, E.Ivanauskaite, G.Milinaviciute, V.Smirnovas, V.Petrikaite, V.Kairys, V.Petrauskas, P.Norvaisas, D.Linge, P.Gibieza, E.Capkauskaite, A.Zaksauskas, E.Kazlauskas, E.Manakova, S.Grazulis, J.E.Ladbury, D.Matulis. Discovery and Characterization of Novel Selective Inhibitors of Carbonic Anhydrase IX. J.Med.Chem. V. 57 9435 2014.
ISSN: ISSN 0022-2623
PubMed: 25358084
DOI: 10.1021/JM501003K
Page generated: Sun Oct 27 06:12:15 2024

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