Chlorine in PDB 2i3r: Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta

All present enzymatic activity of Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta:
3.1.3.48;

The structure of Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta, PDB code: 2i3r was solved by A.G.Evdokimov, M.E.Pokross, R.L.Walter, M.Mekel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.90 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.856, 71.643, 70.531, 90.00, 93.58, 90.00
R / Rfree (%)	18.4 / 21.7

The binding sites of Chlorine atom in the Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta (pdb code 2i3r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta, PDB code: 2i3r:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:30.1 occ:1.00 O A:VAL1744 2.6 19.9 1.0 O A:ILE1758 2.8 15.7 1.0 NH1 A:ARG1743 2.9 19.0 1.0 N A:ILE1758 3.1 17.7 1.0 CD A:ARG1743 3.4 15.7 1.0 CD1 A:TYR1757 3.4 14.4 1.0 CG A:ARG1743 3.5 17.1 1.0 C A:VAL1744 3.7 17.4 1.0 CB A:ARG1743 3.7 18.5 1.0 C A:ILE1758 3.7 15.1 1.0 CA A:TYR1757 3.8 18.5 1.0 CZ A:ARG1743 3.9 17.6 1.0 O A:ASP1756 3.9 18.8 1.0 CE1 A:TYR1757 3.9 15.8 1.0 C A:TYR1757 4.0 15.6 1.0 CA A:ILE1758 4.0 16.1 1.0 NE A:ARG1743 4.1 18.0 1.0 CG A:TYR1757 4.1 17.5 1.0 CG2 A:ILE1758 4.1 16.0 1.0 N A:VAL1744 4.2 18.1 1.0 CA A:LYS1745 4.4 18.6 1.0 CB A:TYR1757 4.4 18.4 1.0 N A:LYS1745 4.5 17.7 1.0 C A:ARG1743 4.5 18.1 1.0 CA A:VAL1744 4.6 17.1 1.0 CA A:ARG1743 4.7 21.4 1.0 C A:ASP1756 4.7 18.2 1.0 O A:ALA1760 4.7 16.1 1.0 CB A:ILE1758 4.7 15.8 1.0 N A:TYR1757 4.8 15.8 1.0 CG A:LYS1745 4.9 22.3 1.0 CZ A:TYR1757 4.9 17.8 1.0 N A:ASN1759 4.9 15.1 1.0

Chlorine binding site 2 out of 2 in the Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Engineered Catalytic Domain of Protein Tyrosine Phosphatase Hptpbeta within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:43.3 occ:1.00 NE2 A:GLN1923 2.8 40.2 1.0 NE A:ARG1919 2.9 22.7 1.0 NH2 A:ARG1919 3.0 31.5 1.0 O A:HOH85 3.2 35.8 1.0 OD1 A:ASN1766 3.3 47.5 1.0 CZ A:ARG1919 3.4 27.9 1.0 CA A:ASN1766 3.7 24.2 1.0 CD A:GLN1923 3.8 36.7 1.0 CB A:ARG1919 3.9 17.1 1.0 CG A:GLN1923 4.0 28.3 1.0 CB A:ASN1766 4.1 27.1 1.0 CG A:ASN1766 4.1 40.4 1.0 CD A:ARG1919 4.1 20.5 1.0 CG A:ARG1919 4.3 16.3 1.0 O A:ARG1919 4.3 18.1 1.0 N A:ASN1766 4.4 17.1 1.0 C A:ARG1919 4.5 19.0 1.0 CA A:ARG1919 4.6 19.1 1.0 NH1 A:ARG1919 4.7 24.2 1.0 CB A:ALA1935 4.8 20.2 1.0 O A:GLY1765 4.8 20.5 1.0 C A:GLY1765 4.8 19.7 1.0 NZ A:LYS1927 4.8 46.0 1.0 C A:ASN1766 4.8 30.2 1.0 O A:ASN1766 4.9 27.3 1.0 OE1 A:GLN1923 4.9 27.9 1.0

A.G.Evdokimov, M.Pokross, R.Walter, M.Mekel, B.Cox, C.Li, R.Bechard, F.Genbauffe, R.Andrews, C.Diven, B.Howard, V.Rastogi, J.Gray, M.Maier, K.G.Peters. Engineering the Catalytic Domain of Human Protein Tyrosine Phosphatase Beta For Structure-Based Drug Discovery. Acta Crystallogr.,Sect.D V. 62 1435 2006.
ISSN: ISSN 0907-4449
PubMed: 17139078
DOI: 10.1107/S0907444906037784