Chlorine in PDB 6sub: Human Ptpru D1 Domain, Reduced Form

All present enzymatic activity of Human Ptpru D1 Domain, Reduced Form:
3.1.3.48;

The structure of Human Ptpru D1 Domain, Reduced Form, PDB code: 6sub was solved by I.M.Hay, G.W.Fearnley, H.J.Sharpe, J.E.Deane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.97 / 1.72
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	61.821, 107.887, 88.328, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.1

The binding sites of Chlorine atom in the Human Ptpru D1 Domain, Reduced Form (pdb code 6sub). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Ptpru D1 Domain, Reduced Form, PDB code: 6sub:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Ptpru D1 Domain, Reduced Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Ptpru D1 Domain, Reduced Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:32.5 occ:1.00 O A:HOH1400 3.0 27.5 1.0 O A:HOH1389 3.0 38.9 1.0 N A:LEU990 3.2 21.9 1.0 CE1 A:HIS1047 3.6 22.0 1.0 CA A:LYS989 3.6 22.8 1.0 CB A:LYS989 3.7 21.1 1.0 C A:LYS989 4.0 26.4 1.0 NE2 A:HIS1047 4.0 20.2 1.0 CG A:LEU990 4.0 27.7 1.0 CG A:LYS989 4.1 23.7 1.0 CB A:LEU990 4.1 24.0 1.0 CA A:LEU990 4.3 21.6 1.0 CD1 A:LEU990 4.4 26.3 1.0 ND1 A:HIS1047 4.7 20.4 1.0 CG2 A:THR1049 4.8 23.6 1.0 CD A:LYS989 4.8 34.5 1.0 O A:THR988 4.9 25.4 1.0 N A:LYS989 4.9 22.4 1.0 N A:VAL991 5.0 22.1 1.0 O A:HOH1417 5.0 41.0 1.0

Chlorine binding site 2 out of 2 in the Human Ptpru D1 Domain, Reduced Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Ptpru D1 Domain, Reduced Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1202 b:30.3 occ:1.00 NH1 A:ARG974 3.0 21.8 1.0 O A:HOH1318 3.1 27.1 1.0 NH1 A:ARG1034 3.3 29.6 1.0 NH2 A:ARG1034 3.3 22.9 1.0 O A:HOH1408 3.3 27.4 1.0 CG A:ARG974 3.3 28.8 1.0 CD A:ARG974 3.4 25.9 1.0 CZ A:ARG1034 3.7 25.4 1.0 CZ A:ARG974 4.0 17.8 1.0 NE A:ARG974 4.1 24.7 1.0 SD A:MET935 4.7 34.4 1.0 CB A:ARG974 4.8 21.6 1.0 CD2 A:LEU932 4.9 30.4 1.0 O A:ARG974 4.9 16.0 1.0 OE1 A:GLN978 4.9 28.3 1.0

I.M.Hay, G.W.Fearnley, P.Rios, M.Kohn, H.J.Sharpe, J.E.Deane. The Receptor Ptpru Is A Redox Sensitive Pseudophosphatase. Nat Commun V. 11 3219 2020.
ISSN: ESSN 2041-1723
PubMed: 32591542
DOI: 10.1038/S41467-020-17076-W