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

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

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII 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 XIII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide, PDB code: 5lln 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) 79.85 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.520, 57.334, 159.708, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 20.6

Other elements in 5lln:

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

Fluorine (F) 12 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide (pdb code 5lln). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide, PDB code: 5lln:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5lln

Go back to Zinc Binding Sites List in 5lln
Zinc binding site 1 out of 2 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII 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 XIII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:11.5
occ:1.00
 N2 B:3TV304 1.4 18.1 0.5
NE2 B:HIS96 1.9 10.3 1.0
ND1 B:HIS121 2.0 8.8 1.0
NE2 B:HIS98 2.0 9.2 1.0
N2 B:3TV304 2.2 20.3 0.5
O3 B:3TV304 2.6 19.7 0.5
S1 B:3TV304 2.8 22.7 0.5
CE1 B:HIS96 2.9 12.1 1.0
S1 B:3TV304 2.9 24.4 0.5
CD2 B:HIS98 2.9 9.7 1.0
CD2 B:HIS96 3.0 9.8 1.0
CE1 B:HIS121 3.0 8.1 1.0
CG B:HIS121 3.0 8.0 1.0
CE1 B:HIS98 3.1 8.9 1.0
O3 B:3TV304 3.3 22.9 0.5
F17 B:3TV304 3.3 22.9 0.5
F17 B:3TV304 3.4 25.2 0.5
CB B:HIS121 3.5 8.7 1.0
OG1 B:THR201 3.6 9.0 1.0
C5 B:3TV304 3.9 24.6 0.5
C5 B:3TV304 3.9 22.0 0.5
O4 B:3TV304 4.0 20.5 0.5
C6 B:3TV304 4.0 22.1 0.5
ND1 B:HIS96 4.1 11.6 1.0
OE1 B:GLU108 4.1 12.2 1.0
C6 B:3TV304 4.1 25.5 0.5
CG B:HIS96 4.1 9.8 1.0
NE2 B:HIS121 4.1 7.8 1.0
CG B:HIS98 4.1 8.6 1.0
O4 B:3TV304 4.2 22.6 0.5
ND1 B:HIS98 4.2 7.8 1.0
CD2 B:HIS121 4.2 9.0 1.0
CB B:THR201 4.9 9.1 1.0
CA B:HIS121 4.9 7.8 1.0
CD B:GLU108 5.0 11.3 1.0
CH2 B:TRP211 5.0 7.8 1.0

Zinc binding site 2 out of 2 in 5lln

Go back to Zinc Binding Sites List in 5lln
Zinc binding site 2 out of 2 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII 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 2 of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:8.0
occ:1.00
 N2 A:3TV303 1.9 16.5 1.0
ND1 A:HIS121 2.0 7.6 1.0
NE2 A:HIS96 2.0 7.1 1.0
NE2 A:HIS98 2.1 6.3 1.0
O3 A:3TV303 2.9 15.9 1.0
CE1 A:HIS121 2.9 6.4 1.0
CE1 A:HIS96 3.0 8.8 1.0
S1 A:3TV303 3.0 23.1 1.0
CD2 A:HIS98 3.0 6.4 1.0
CD2 A:HIS96 3.0 6.7 1.0
CE1 A:HIS98 3.1 7.2 1.0
CG A:HIS121 3.1 6.9 1.0
F17 A:3TV303 3.5 22.9 1.0
CB A:HIS121 3.5 6.8 1.0
OG1 A:THR201 3.7 9.3 1.0
C5 A:3TV303 3.9 23.9 1.0
C6 A:3TV303 4.1 26.2 1.0
NE2 A:HIS121 4.1 7.1 1.0
OE1 A:GLU108 4.1 8.8 1.0
CG A:HIS96 4.1 7.1 1.0
ND1 A:HIS96 4.1 8.3 1.0
O4 A:3TV303 4.2 21.8 1.0
CD2 A:HIS121 4.2 7.1 1.0
CG A:HIS98 4.2 5.9 1.0
ND1 A:HIS98 4.2 6.2 1.0
CD A:GLU108 4.9 10.7 1.0
CA A:HIS121 5.0 6.7 1.0

Reference:

A.Smirnov, E.Manakova, S.Grazulis, D.Matulis. Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2,3,5,6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide To Be Published.
Page generated: Sun Oct 27 21:09:10 2024

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