Chlorine in PDB 4mbb: Cubic Crystal Form of PIR1 Dual Specificity Phosphatase Core

The structure of Cubic Crystal Form of PIR1 Dual Specificity Phosphatase Core, PDB code: 4mbb was solved by R.S.Sankhala, R.K.Lokareddy, G.Cingolani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.66 / 1.85
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	92.740, 92.740, 92.740, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 18.8

The binding sites of Chlorine atom in the Cubic Crystal Form of PIR1 Dual Specificity Phosphatase Core (pdb code 4mbb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Cubic Crystal Form of PIR1 Dual Specificity Phosphatase Core, PDB code: 4mbb:

Chlorine binding site 1 out of 1 in the Cubic Crystal Form of PIR1 Dual Specificity Phosphatase Core


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cubic Crystal Form of PIR1 Dual Specificity Phosphatase Core within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:27.1 occ:1.00 N A:TYR95 3.1 25.4 1.0 NH1 A:ARG158 3.3 26.9 1.0 OG1 A:THR153 3.3 31.7 1.0 N A:THR96 3.4 27.6 1.0 O A:HOH498 3.4 45.5 1.0 NH2 A:ARG158 3.4 27.0 1.0 OG1 A:THR96 3.4 39.5 1.0 O A:HOH566 3.5 46.5 1.0 CA A:THR94 3.6 24.7 1.0 CG2 A:THR96 3.6 29.2 1.0 CD1 A:TYR95 3.6 27.9 1.0 CB A:THR94 3.6 29.3 1.0 CE1 A:TYR95 3.7 27.1 1.0 CZ A:ARG158 3.8 26.5 1.0 C A:THR94 3.9 27.8 1.0 CB A:THR96 3.9 29.3 1.0 CG2 A:THR94 4.1 27.7 1.0 CA A:TYR95 4.2 24.5 1.0 CG A:TYR95 4.2 27.6 1.0 C A:TYR95 4.2 23.9 1.0 CA A:THR96 4.3 27.9 1.0 CZ A:TYR95 4.4 30.9 1.0 CE2 A:TYR99 4.7 37.1 1.0 CB A:THR153 4.7 30.9 1.0 CB A:TYR95 4.8 26.7 1.0 CD2 A:TYR95 4.8 30.5 1.0 OG1 A:THR94 4.9 29.5 1.0 N A:THR94 4.9 27.5 1.0 CE2 A:TYR95 4.9 27.8 1.0 OH A:TYR99 5.0 40.3 1.0

R.S.Sankhala, R.K.Lokareddy, G.Cingolani. Structure of Human PIR1, An Atypical Dual-Specificity Phosphatase. Biochemistry V. 53 862 2014.
ISSN: ISSN 0006-2960
PubMed: 24447265
DOI: 10.1021/BI401240X