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Chlorine in PDB 5ohh: Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- [(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-3,5,6-Trifluoro-4-[(2- Hydroxyethyl)Thio]Benzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- [(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-3,5,6-Trifluoro-4-[(2- Hydroxyethyl)Thio]Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- [(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-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- [(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-3,5,6-Trifluoro-4-[(2- Hydroxyethyl)Thio]Benzenesulfonamide, PDB code: 5ohh 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) 54.04 / 1.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.501, 57.419, 159.909, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 18.5

Other elements in 5ohh:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- [(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-3,5,6-Trifluoro-4-[(2- Hydroxyethyl)Thio]Benzenesulfonamide also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- [(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-3,5,6-Trifluoro-4-[(2- Hydroxyethyl)Thio]Benzenesulfonamide (pdb code 5ohh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- [(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-3,5,6-Trifluoro-4-[(2- Hydroxyethyl)Thio]Benzenesulfonamide, PDB code: 5ohh:

Chlorine binding site 1 out of 1 in 5ohh

Go back to Chlorine Binding Sites List in 5ohh
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- [(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-3,5,6-Trifluoro-4-[(2- Hydroxyethyl)Thio]Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- [(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-3,5,6-Trifluoro-4-[(2- Hydroxyethyl)Thio]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl310

b:70.7
occ:1.00
 CL B:LCP310 0.0 70.7 1.0
O1 B:LCP310 1.6 54.9 1.0
O4 B:LCP310 1.6 42.2 1.0
O3 B:LCP310 1.6 39.5 1.0
O2 B:LCP310 1.7 46.0 1.0
O2 B:PEG309 2.9 40.4 1.0
C1 B:PEG309 3.3 27.2 1.0
C2 B:PEG309 3.5 32.3 1.0
O4 B:PEG309 4.0 28.6 1.0
C3 B:PEG309 4.1 27.9 1.0
NZ B:LYS36 4.1 20.7 1.0
O B:HOH549 4.1 21.5 1.0
O B:HOH435 4.3 25.9 1.0
C4 B:PEG309 4.5 29.9 1.0
O1 B:PEG309 4.7 21.7 1.0

Reference:

A.Smirnov, E.Manakova, S.Grazulis, D.Matulis. Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-3,5, 6-Trifluoro-4-[(2-Hydroxyethyl)Thio]Benzenesulfonamide To Be Published.
Page generated: Fri Jul 26 14:29:33 2024

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