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Zinc in PDB 6yh8: Crystal Structure of Chimeric Carbonic Anhydrase XII with 2-[(1S)-1,2, 3,4-Tetrahydronapthalen-1-Ylamino)-3,5,6-Trifluorobenzenesulfonamide

Enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2-[(1S)-1,2, 3,4-Tetrahydronapthalen-1-Ylamino)-3,5,6-Trifluorobenzenesulfonamide

All present enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2-[(1S)-1,2, 3,4-Tetrahydronapthalen-1-Ylamino)-3,5,6-Trifluorobenzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2-[(1S)-1,2, 3,4-Tetrahydronapthalen-1-Ylamino)-3,5,6-Trifluorobenzenesulfonamide, PDB code: 6yh8 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) 39.57 / 1.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.035, 41.044, 71.429, 90, 103.93, 90
R / Rfree (%) 13.6 / 17.2

Other elements in 6yh8:

The structure of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2-[(1S)-1,2, 3,4-Tetrahydronapthalen-1-Ylamino)-3,5,6-Trifluorobenzenesulfonamide 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-[(1S)-1,2, 3,4-Tetrahydronapthalen-1-Ylamino)-3,5,6-Trifluorobenzenesulfonamide (pdb code 6yh8). 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-[(1S)-1,2, 3,4-Tetrahydronapthalen-1-Ylamino)-3,5,6-Trifluorobenzenesulfonamide, PDB code: 6yh8:

Zinc binding site 1 out of 1 in 6yh8

Go back to Zinc Binding Sites List in 6yh8
Zinc binding site 1 out of 1 in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 2-[(1S)-1,2, 3,4-Tetrahydronapthalen-1-Ylamino)-3,5,6-Trifluorobenzenesulfonamide


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-[(1S)-1,2, 3,4-Tetrahydronapthalen-1-Ylamino)-3,5,6-Trifluorobenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.7
occ:1.00
 N3 A:OQT304 1.9 9.4 1.0
NE2 A:HIS94 2.0 7.4 1.0
ND1 A:HIS119 2.0 6.3 1.0
NE2 A:HIS96 2.0 7.0 1.0
CE1 A:HIS119 2.9 6.2 1.0
CE1 A:HIS96 3.0 7.6 1.0
CD2 A:HIS96 3.0 7.4 1.0
CD2 A:HIS94 3.0 8.0 1.0
S2 A:OQT304 3.0 11.7 1.0
CE1 A:HIS94 3.1 8.6 1.0
CG A:HIS119 3.1 6.0 1.0
O24 A:OQT304 3.3 14.2 1.0
CB A:HIS119 3.6 6.6 1.0
OG1 A:THR199 3.9 7.8 1.0
OE1 A:GLU106 3.9 7.7 1.0
C4 A:OQT304 3.9 10.8 1.0
NE2 A:HIS119 4.1 6.1 1.0
ND1 A:HIS96 4.1 7.8 1.0
CG A:HIS94 4.2 8.6 1.0
ND1 A:HIS94 4.2 9.1 1.0
CG A:HIS96 4.2 6.6 1.0
CD2 A:HIS119 4.2 5.6 1.0
O1 A:OQT304 4.3 14.5 1.0
F6 A:OQT304 4.4 15.7 1.0
C5 A:OQT304 4.6 12.6 1.0
O A:HOH564 4.8 24.9 1.0
C12 A:OQT304 4.8 12.3 1.0
N13 A:OQT304 4.9 13.7 1.0
CD A:GLU106 4.9 7.2 1.0

Reference:

A.Smirnov, E.Manakova, S.Grazulis. Crystal Structure of Chimeric Carbonic Anhydrase XII with 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-Ylamino)-3,5, 6-Trifluorobenzenesulfonamide To Be Published.
Page generated: Tue Oct 29 11:34:07 2024

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