Chlorine in PDB 5glj: Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas

All present enzymatic activity of Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas:
3.1.3.48;

The structure of Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas, PDB code: 5glj was solved by S.O.Lee, B.Ku, S.W.Chi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.95 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.034, 57.571, 168.971, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas (pdb code 5glj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas, PDB code: 5glj:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas


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 PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:12.9 occ:1.00 O D:HOH1277 3.0 28.1 1.0 NH1 B:ARG1089 3.2 9.7 1.0 NE D:ARG1116 3.2 11.3 1.0 N A:VAL1126 3.3 8.5 1.0 O A:VAL1126 3.6 13.3 1.0 NH2 D:ARG1116 3.7 12.7 1.0 CA A:SER1125 3.7 8.4 1.0 CG A:PRO1140 3.8 8.6 1.0 CZ D:ARG1116 3.9 14.0 1.0 CG D:ARG1116 3.9 9.7 1.0 CB A:SER1125 4.0 7.8 1.0 CD B:ARG1089 4.0 7.9 1.0 C A:SER1125 4.0 11.4 1.0 CD D:ARG1116 4.1 10.9 1.0 CG B:ARG1089 4.2 7.9 1.0 CA A:VAL1126 4.2 7.3 1.0 CB B:PRO1178 4.2 15.5 1.0 C A:VAL1126 4.2 12.5 1.0 CZ B:ARG1089 4.3 8.6 1.0 CA B:PRO1178 4.5 11.0 1.0 CG B:PRO1178 4.5 15.3 1.0 CB A:VAL1126 4.6 10.2 1.0 CD A:PRO1140 4.6 8.9 1.0 O A:HOH1345 4.6 29.9 1.0 NE B:ARG1089 4.6 8.9 1.0 O A:SER1124 4.9 7.9 1.0 O A:HOH1414 4.9 29.0 1.0 N A:SER1125 5.0 9.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas


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 PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1202 b:15.7 occ:1.00 O A:HOH1397 2.8 21.4 1.0 O D:HOH1263 3.0 13.6 1.0 OG A:SER1125 3.0 10.5 1.0 N A:ALA1127 3.4 8.7 1.0 CB A:ALA1127 3.6 13.6 1.0 CA A:PHE1106 3.7 8.2 1.0 CG A:GLN1107 3.8 9.7 1.0 O A:SER1125 3.8 8.0 1.0 CB D:ARG1116 3.9 8.2 1.0 C A:SER1125 3.9 11.4 1.0 N A:GLN1107 3.9 6.9 1.0 CA A:ALA1127 3.9 12.7 1.0 C A:VAL1126 3.9 12.5 1.0 C A:PHE1106 3.9 8.2 1.0 CB A:SER1125 4.0 7.8 1.0 O A:GLY1105 4.0 10.2 1.0 NE2 A:GLN1107 4.0 10.4 1.0 N A:VAL1126 4.0 8.5 1.0 CA A:VAL1126 4.1 7.3 1.0 N A:PHE1106 4.1 9.8 1.0 C A:GLY1105 4.2 10.1 1.0 CD A:GLN1107 4.3 13.8 1.0 O A:HOH1376 4.3 24.1 1.0 CG D:ARG1116 4.5 9.7 1.0 CB A:GLN1107 4.5 9.5 1.0 CA A:SER1125 4.6 8.4 1.0 O A:PHE1106 4.7 10.2 1.0 O A:VAL1126 4.8 13.3 1.0 CA A:GLN1107 4.8 5.8 1.0 CB A:PHE1106 5.0 7.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1201 b:21.4 occ:1.00 NE C:ARG1116 3.1 23.6 1.0 NH1 C:ARG1116 3.2 22.6 1.0 NH1 A:ARG1089 3.3 12.2 1.0 N B:VAL1126 3.4 10.0 1.0 CA B:SER1125 3.5 10.2 1.0 CZ C:ARG1116 3.6 22.6 1.0 CB B:SER1125 3.6 13.2 1.0 CG B:PRO1140 3.8 7.8 1.0 O B:VAL1126 3.8 13.7 1.0 CE A:MET-1 3.9 19.9 1.0 C B:SER1125 4.0 9.3 1.0 CD C:ARG1116 4.2 19.6 1.0 CG C:ARG1116 4.3 20.4 1.0 O C:HOH1302 4.3 25.8 1.0 CA B:VAL1126 4.4 11.1 1.0 CD A:ARG1089 4.5 10.7 1.0 CZ A:ARG1089 4.5 9.7 1.0 C B:VAL1126 4.5 13.5 1.0 O B:SER1124 4.5 9.1 1.0 CB A:PRO1178 4.7 11.1 1.0 CD2 C:LEU1117 4.7 12.2 1.0 N B:SER1125 4.8 8.8 1.0 O A:HOH1309 4.9 8.8 1.0 CD B:PRO1140 4.9 10.0 1.0 CB B:PRO1140 4.9 9.1 1.0 CG A:ARG1089 4.9 12.7 1.0 OG B:SER1125 4.9 12.1 1.0 NH2 C:ARG1116 4.9 22.6 1.0 CG A:PRO1178 4.9 17.2 1.0 NE A:ARG1089 4.9 8.8 1.0 CB B:VAL1126 5.0 12.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1202 b:40.1 occ:1.00 O C:HOH1339 2.8 24.1 1.0 O C:HOH1416 3.0 29.0 1.0 NH1 C:ARG1089 3.2 15.9 1.0 O A:HOH1408 3.3 29.3 1.0 NH2 A:ARG1116 3.5 32.3 1.0 NH1 A:ARG1116 3.9 37.7 1.0 CG C:PRO1178 4.0 16.5 1.0 CZ C:ARG1089 4.1 12.4 1.0 O C:HOH1348 4.2 20.0 1.0 CZ A:ARG1116 4.2 32.3 1.0 NH2 C:ARG1089 4.2 10.8 1.0 O C:GLY1141 4.3 12.4 1.0 CD C:PRO1178 4.4 16.8 1.0 O C:HOH1385 4.7 21.9 1.0

S.O.Lee, M.K.Lee, B.Ku, K.H.Bae, S.C.Lee, H.M.Lim, S.J.Kim, S.W.Chi. High-Resolution Crystal Structure of the PDZ1 Domain of Human Protein Tyrosine Phosphatase Ptp-Bas. Biochem.Biophys.Res.Commun. V. 478 1205 2016.
ISSN: ESSN 1090-2104
PubMed: 27544031
DOI: 10.1016/J.BBRC.2016.08.095