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Zinc in PDB 6yhc: Crystal Structure of Chimeric Carbonic Anhydrase XII with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide

Enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase XII with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase XII with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Chimeric Carbonic Anhydrase XII with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide, PDB code: 6yhc 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) 40.68 / 1.28
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.89, 40.963, 71.406, 90, 103.78, 90
R / Rfree (%) 13 / 17.2

Other elements in 6yhc:

The structure of Crystal Structure of Chimeric Carbonic Anhydrase XII with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide (pdb code 6yhc). 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 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide, PDB code: 6yhc:

Zinc binding site 1 out of 1 in 6yhc

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

b:11.6
occ:1.00
 N10 A:WWO303 1.9 13.1 1.0
NE2 A:HIS94 2.0 11.0 1.0
NE2 A:HIS96 2.0 11.5 1.0
ND1 A:HIS119 2.1 11.4 1.0
CE1 A:HIS119 2.9 10.8 1.0
CD2 A:HIS94 3.0 12.3 1.0
CD2 A:HIS96 3.0 11.1 1.0
F12 A:WWO303 3.0 18.6 1.0
S7 A:WWO303 3.0 13.3 1.0
CE1 A:HIS94 3.1 12.3 1.0
CE1 A:HIS96 3.1 12.1 1.0
CG A:HIS119 3.1 10.9 1.0
O9 A:WWO303 3.2 13.7 1.0
CB A:HIS119 3.5 11.2 1.0
C4 A:WWO303 3.6 15.0 1.0
C3 A:WWO303 3.6 15.2 1.0
OE1 A:GLU106 3.8 13.3 1.0
OG1 A:THR199 3.9 11.8 1.0
NE2 A:HIS119 4.1 12.0 1.0
CG A:HIS94 4.1 11.9 1.0
ND1 A:HIS94 4.2 12.5 1.0
CG A:HIS96 4.2 11.7 1.0
ND1 A:HIS96 4.2 12.8 1.0
O8 A:WWO303 4.2 14.4 1.0
CD2 A:HIS119 4.2 11.6 1.0
C2 A:WWO303 4.8 20.1 1.0
CD A:GLU106 4.8 13.0 1.0
C5 A:WWO303 4.9 18.0 1.0
CH2 A:TRP209 4.9 12.4 1.0

Reference:

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

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