Chlorine in PDB 7r2c: Crystal Structure of TACEL5A Y200F Variant in Complex with 2-Chloro-4- Nitrophenyl-Glucose

All present enzymatic activity of Crystal Structure of TACEL5A Y200F Variant in Complex with 2-Chloro-4- Nitrophenyl-Glucose:
3.2.1.4;

The structure of Crystal Structure of TACEL5A Y200F Variant in Complex with 2-Chloro-4- Nitrophenyl-Glucose, PDB code: 7r2c was solved by R.Dutoit, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.46 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76, 84.02, 88.93, 90, 90, 90
R / Rfree (%)	16.5 / 18.7

The binding sites of Chlorine atom in the Crystal Structure of TACEL5A Y200F Variant in Complex with 2-Chloro-4- Nitrophenyl-Glucose (pdb code 7r2c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of TACEL5A Y200F Variant in Complex with 2-Chloro-4- Nitrophenyl-Glucose, PDB code: 7r2c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of TACEL5A Y200F Variant in Complex with 2-Chloro-4- Nitrophenyl-Glucose


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 TACEL5A Y200F Variant in Complex with 2-Chloro-4- Nitrophenyl-Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:29.5 occ:0.84 CL1 A:P9P401 0.0 29.5 0.8 C02 A:P9P401 1.8 24.7 0.8 C10 A:P9P401 2.7 23.7 0.8 C03 A:P9P401 2.7 20.0 0.8 O2 B:BGC402 2.9 35.2 0.7 O11 A:P9P401 2.9 20.3 0.8 O A:HOH823 3.5 26.3 1.0 OD2 A:ASP204 3.7 32.1 1.0 O A:ASP204 3.8 21.7 1.0 CG A:ASP204 3.8 23.2 1.0 CB A:ASP204 3.9 25.8 1.0 C04 A:P9P401 4.0 21.5 0.8 C09 A:P9P401 4.0 21.2 0.8 CZ2 B:TRP170 4.1 18.5 1.0 CB A:SER206 4.2 22.9 1.0 C2 B:BGC402 4.3 31.3 0.7 O A:HOH777 4.3 26.6 1.0 O B:HOH784 4.3 41.5 1.0 C1 A:BGC402 4.3 20.4 0.8 CH2 B:TRP170 4.4 18.7 1.0 C A:ASP204 4.5 20.3 1.0 C08 A:P9P401 4.5 22.3 0.8 OD1 A:ASP204 4.6 25.0 1.0 O2 A:BGC402 4.7 29.8 0.8 CA A:ASP204 4.8 24.5 1.0 O B:HOH575 4.8 20.3 1.0 O3 B:BGC402 4.9 31.4 0.7 N A:SER206 4.9 17.7 1.0 O B:HOH865 4.9 33.5 1.0 C2 A:BGC402 4.9 25.6 0.8 CA A:SER206 4.9 19.8 1.0 C3 B:BGC402 5.0 30.9 0.7

Chlorine binding site 2 out of 2 in the Crystal Structure of TACEL5A Y200F Variant in Complex with 2-Chloro-4- Nitrophenyl-Glucose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of TACEL5A Y200F Variant in Complex with 2-Chloro-4- Nitrophenyl-Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:35.2 occ:0.68 CL1 B:P9P401 0.0 35.2 0.7 C02 B:P9P401 1.8 30.3 0.7 O B:HOH784 2.3 41.5 1.0 C03 B:P9P401 2.7 29.5 0.7 C10 B:P9P401 2.8 30.4 0.7 O2 A:BGC402 2.8 29.8 0.8 O11 B:P9P401 3.0 30.4 0.7 O A:HOH602 3.3 39.2 1.0 O A:HOH823 3.4 26.3 1.0 OD2 B:ASP204 3.4 34.9 1.0 CB B:ASP204 3.7 26.4 1.0 CG B:ASP204 3.7 30.1 1.0 O B:ASP204 3.7 23.1 1.0 C04 B:P9P401 4.0 26.9 0.7 C09 B:P9P401 4.1 26.5 0.7 C2 A:BGC402 4.2 25.6 0.8 C1 B:BGC402 4.4 28.6 0.7 O2 B:BGC402 4.5 35.2 0.7 OD1 B:ASP204 4.5 25.7 1.0 CB B:SER206 4.5 22.3 1.0 C08 B:P9P401 4.5 22.9 0.7 CZ2 A:TRP170 4.6 17.5 1.0 C B:ASP204 4.6 24.7 1.0 CA B:ASP204 4.7 19.3 1.0 C2 B:BGC402 4.8 31.3 0.7 CH2 A:TRP170 4.8 16.3 1.0 O A:HOH934 4.9 38.1 1.0 O3 A:BGC402 4.9 23.8 0.8 O11 A:P9P401 5.0 20.3 0.8 O B:HOH788 5.0 41.7 1.0

R.Dutoit, R.Dutoit. N/A N/A.