Chlorine in PDB 2pa5: Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9

All present enzymatic activity of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9:
3.1.3.48;

The structure of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9, PDB code: 2pa5 was solved by E.Ugochukwu, A.Barr, A.C.W.Pike, P.Savitsky, E.Papagrigoriou, A.Turnbull, J.Uppenberg, G.Bunkoczi, E.Salah, S.Das, F.Von Delft, M.Sundstrom, C.H.Arrowsmith, J.Weigelt, A.Edwards, S.Knapp, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.96 / 1.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	39.965, 57.427, 66.446, 77.44, 78.22, 80.41
R / Rfree (%)	15.6 / 18.8

The binding sites of Chlorine atom in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (pdb code 2pa5). 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 Human Protein Tyrosine Phosphatase PTPN9, PDB code: 2pa5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9


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 Protein Tyrosine Phosphatase PTPN9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl590 b:49.9 occ:1.00 NE2 A:GLN559 3.8 35.1 1.0 OD1 A:ASP335 3.8 20.1 1.0 CG2 A:VAL336 3.9 14.5 1.0 OD2 A:ASP335 3.9 29.1 1.0 CG A:TYR333 4.1 9.8 1.0 CD1 A:TYR333 4.1 9.8 1.0 CD2 A:TYR333 4.3 12.1 1.0 CG A:ASP335 4.3 27.0 1.0 CB A:TYR333 4.4 13.1 1.0 CE1 A:TYR333 4.5 13.5 1.0 CE2 A:TYR333 4.7 13.9 1.0 CB A:ALA517 4.7 12.3 1.0 CZ A:TYR333 4.8 11.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9


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 Human Protein Tyrosine Phosphatase PTPN9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl591 b:11.6 occ:1.00 OG A:SER516 3.0 12.4 1.0 O A:HOH761 3.0 14.1 1.0 N A:SER516 3.4 9.4 1.0 CB A:SER516 3.5 9.3 1.0 NZ A:LYS411 3.5 40.6 1.0 CG2 A:THR402 3.6 11.7 1.0 CB A:CYS515 3.8 11.6 1.0 CD A:LYS411 3.8 22.3 1.0 NE A:ARG521 3.8 11.2 1.0 CE A:LYS411 4.0 22.8 1.0 CD A:ARG521 4.1 11.3 1.0 CZ A:ARG521 4.1 14.8 1.0 CA A:SER516 4.1 7.1 1.0 CG A:ARG521 4.3 10.6 1.0 O A:HOH721 4.4 9.6 1.0 O A:HOH749 4.4 13.8 1.0 C A:CYS515 4.4 12.5 1.0 SG A:CYS515 4.4 11.8 1.0 NH2 A:ARG521 4.5 17.6 1.0 CA A:CYS515 4.5 11.2 1.0 NH1 A:ARG521 4.5 11.7 1.0 CG A:LYS411 4.7 10.6 1.0 CB A:THR402 4.9 11.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9


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 Human Protein Tyrosine Phosphatase PTPN9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl592 b:24.1 occ:1.00 NH2 A:ARG332 3.1 13.2 1.0 O A:HOH801 3.2 22.9 1.0 NH1 A:ARG332 3.2 12.0 1.0 O A:HOH765 3.3 20.8 1.0 CZ A:ARG332 3.6 12.7 1.0 N A:GLY413 3.9 9.7 1.0 C A:CYS412 4.0 8.0 1.0 CA A:GLY413 4.0 6.7 1.0 O A:HOH817 4.1 32.8 1.0 O A:CYS412 4.1 9.8 1.0 CD A:ARG410 4.2 38.7 1.0 CB A:ARG410 4.3 14.1 1.0 CD2 A:LEU379 4.5 12.8 1.0 N A:CYS412 4.6 10.0 1.0 O A:PRO378 4.7 7.7 1.0 CA A:CYS412 4.7 7.1 1.0 CG A:ARG410 4.8 13.1 1.0 NE A:ARG332 5.0 12.6 1.0 NE A:ARG410 5.0 42.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9


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 Human Protein Tyrosine Phosphatase PTPN9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl590 b:20.0 occ:1.00 O B:HOH764 3.1 19.8 1.0 NH2 B:ARG332 3.2 10.9 1.0 CD B:ARG410 3.4 34.1 1.0 NH1 B:ARG332 3.4 11.9 1.0 CG B:ARG410 3.7 22.3 1.0 N B:GLY413 3.7 11.0 1.0 CA B:GLY413 3.8 11.6 1.0 CZ B:ARG332 3.8 11.3 1.0 C B:CYS412 4.0 10.3 1.0 O B:CYS412 4.2 12.1 1.0 NE B:ARG410 4.3 28.3 1.0 O B:PRO378 4.4 11.0 1.0 CD2 B:LEU379 4.4 9.2 1.0 NH1 B:ARG410 4.5 36.8 1.0 CA B:LEU379 4.6 9.2 1.0 CA B:CYS412 4.7 9.5 1.0 CZ B:ARG410 4.7 51.0 1.0 N B:CYS412 4.9 10.4 1.0

A.J.Barr, E.Ugochukwu, W.H.Lee, O.N.King, P.Filippakopoulos, I.Alfano, P.Savitsky, N.A.Burgess-Brown, S.Muller, S.Knapp. Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome. Cell(Cambridge,Mass.) V. 136 352 2009.
ISSN: ISSN 0092-8674
PubMed: 19167335
DOI: 10.1016/J.CELL.2008.11.038