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Zinc in PDB 5ogj: Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- (Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl) Thio]Benzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- (Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl) Thio]Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- (Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl) Thio]Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- (Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl) Thio]Benzenesulfonamide, PDB code: 5ogj was solved by E.Manakova, A.Smirnov, S.Grazulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 79.89 / 1.06
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.445, 57.244, 159.782, 90.00, 90.00, 90.00
R / Rfree (%) 13.2 / 15.5

Other elements in 5ogj:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- (Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl) Thio]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 Human Carbonic Anhydrase Isozyme XIII with 2- (Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl) Thio]Benzenesulfonamide (pdb code 5ogj). 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- (Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl) Thio]Benzenesulfonamide, PDB code: 5ogj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5ogj

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

b:6.2
occ:1.00
 NE2 B:HIS96 2.0 6.0 1.0
ND1 B:HIS121 2.0 6.0 1.0
NE2 B:HIS98 2.1 6.4 1.0
O B:HOH424 2.1 7.5 1.0
OXT B:ACT305 2.2 9.2 1.0
CE1 B:HIS121 3.0 6.4 1.0
CE1 B:HIS96 3.0 7.6 1.0
CD2 B:HIS96 3.0 6.4 1.0
CE1 B:HIS98 3.1 7.0 1.0
CD2 B:HIS98 3.1 6.4 1.0
CG B:HIS121 3.1 5.9 1.0
C B:ACT305 3.2 8.5 1.0
CB B:HIS121 3.5 5.6 1.0
O B:ACT305 3.5 9.2 1.0
OG1 B:THR201 3.6 7.3 1.0
O B:HOH655 3.9 21.3 1.0
NE2 B:HIS121 4.1 6.5 1.0
ND1 B:HIS96 4.1 7.9 1.0
CG B:HIS96 4.2 6.2 1.0
CD2 B:HIS121 4.2 6.1 1.0
ND1 B:HIS98 4.2 7.0 1.0
CG B:HIS98 4.3 6.3 1.0
OE1 B:GLU108 4.3 7.8 1.0
CH3 B:ACT305 4.5 10.2 1.0
CB B:THR201 4.9 6.7 1.0
CA B:HIS121 5.0 5.7 1.0

Zinc binding site 2 out of 2 in 5ogj

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

b:7.0
occ:1.00
 NE2 A:HIS96 2.0 6.6 1.0
ND1 A:HIS121 2.0 6.8 1.0
O A:HOH417 2.1 8.1 1.0
NE2 A:HIS98 2.1 7.2 1.0
O A:ACT307 2.1 10.1 1.0
CE1 A:HIS96 3.0 7.8 1.0
CE1 A:HIS121 3.0 6.7 1.0
CD2 A:HIS96 3.0 7.3 1.0
CE1 A:HIS98 3.1 7.2 1.0
CD2 A:HIS98 3.1 6.7 1.0
CG A:HIS121 3.1 6.3 1.0
C A:ACT307 3.1 9.4 1.0
OXT A:ACT307 3.5 9.9 1.0
CB A:HIS121 3.5 6.4 1.0
OG1 A:THR201 3.6 8.1 1.0
ND1 A:HIS96 4.1 8.1 1.0
NE2 A:HIS121 4.1 6.5 1.0
CG A:HIS96 4.2 6.8 1.0
O A:HOH649 4.2 23.0 1.0
CD2 A:HIS121 4.2 6.4 1.0
OE1 A:GLU108 4.2 7.8 1.0
ND1 A:HIS98 4.2 7.1 1.0
CG A:HIS98 4.3 6.6 1.0
CH3 A:ACT307 4.5 10.8 1.0
CB A:THR201 4.9 7.6 1.0
CH2 A:TRP211 5.0 7.9 1.0
CA A:HIS121 5.0 6.1 1.0

Reference:

A.Smirnov, E.Manakova, S.Grazulis, D.Matulis. Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2-(Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl) Thio]Benzenesulfonamide To Be Published.
Page generated: Sun Oct 27 23:31:30 2024

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