Zinc in PDB 6yh9: Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide

Enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide, PDB code: 6yh9 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) 40.62 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.734, 40.869, 70.92, 90, 103.34, 90
R / Rfree (%) 16.6 / 20.4

Other elements in 6yh9:

The structure of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide (pdb code 6yh9). 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 Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide, PDB code: 6yh9:

Zinc binding site 1 out of 1 in 6yh9

Go back to Zinc Binding Sites List in 6yh9
Zinc binding site 1 out of 1 in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-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 Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:13.2
occ:1.00
 N4 A:WWX302 1.9 20.6 1.0
NE2 A:HIS94 2.0 11.4 1.0
NE2 A:HIS96 2.0 12.1 1.0
ND1 A:HIS119 2.0 13.4 1.0
F11 A:WWX302 2.8 23.5 1.0
CE1 A:HIS94 2.9 11.4 1.0
CE1 A:HIS119 2.9 13.0 1.0
CD2 A:HIS96 3.0 12.7 1.0
S1 A:WWX302 3.0 23.9 1.0
CE1 A:HIS96 3.0 12.2 1.0
CG A:HIS119 3.1 13.2 1.0
CD2 A:HIS94 3.1 16.0 1.0
O2 A:WWX302 3.3 23.3 1.0
C6 A:WWX302 3.4 22.0 1.0
CB A:HIS119 3.5 13.5 1.0
C5 A:WWX302 3.6 21.3 1.0
OG1 A:THR199 3.9 11.7 1.0
OE1 A:GLU106 3.9 14.9 1.0
NE2 A:HIS119 4.1 13.5 1.0
ND1 A:HIS94 4.1 12.9 1.0
CG A:HIS96 4.2 11.1 1.0
ND1 A:HIS96 4.2 12.3 1.0
CG A:HIS94 4.2 10.8 1.0
CD2 A:HIS119 4.2 12.9 1.0
O3 A:WWX302 4.3 25.1 1.0
C7 A:WWX302 4.6 26.5 1.0
CD A:GLU106 4.8 15.0 1.0
C10 A:WWX302 4.9 23.0 1.0
CA A:HIS119 5.0 12.7 1.0
F12 A:WWX302 5.0 26.7 1.0

Reference:

A.Smirnov, E.Manakova, S.Grazulis. Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6-Trifluoro-5-{[(1R,2S)-2-Hydroxy-1, 2-Diphenylethyl]Amino}-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide To Be Published.
Page generated: Tue Oct 29 15:07:00 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy