Chlorine in PDB 7mpd: Structure of Ssoptp Bound to 2-Chloroethylsulfonate

The structure of Structure of Ssoptp Bound to 2-Chloroethylsulfonate, PDB code: 7mpd was solved by J.A.Pinkston, K.J.Olsen, A.C.Hengge, S.J.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.59 / 1.05
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	83.923, 83.923, 42.352, 90, 90, 120
R / Rfree (%)	12.5 / 13.8

The binding sites of Chlorine atom in the Structure of Ssoptp Bound to 2-Chloroethylsulfonate (pdb code 7mpd). 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 Structure of Ssoptp Bound to 2-Chloroethylsulfonate, PDB code: 7mpd:

Chlorine binding site 1 out of 1 in the Structure of Ssoptp Bound to 2-Chloroethylsulfonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Ssoptp Bound to 2-Chloroethylsulfonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.6 occ:0.70 CL1 A:ZLJ201 0.0 20.6 0.7 C9 A:ZLJ201 1.6 8.2 0.7 H91 A:ZLJ201 2.1 9.9 0.7 H92 A:ZLJ201 2.1 9.9 0.7 HE22 A:GLN139 2.1 13.9 1.0 H A:GLY70 2.2 14.6 1.0 HA3 A:GLY101 2.6 14.3 1.0 HA2 A:GLY70 2.6 15.7 1.0 C10 A:ZLJ201 2.7 11.0 0.7 O A:HOH431 2.7 35.0 1.0 HG3 A:ARG102 2.8 12.1 1.0 H101 A:ZLJ201 2.9 13.2 0.7 NE2 A:GLN139 2.9 11.6 1.0 N A:GLY70 2.9 12.2 1.0 H102 A:ZLJ201 3.0 13.2 0.7 H A:ARG102 3.2 12.0 1.0 CA A:GLY70 3.2 13.1 1.0 HE21 A:GLN139 3.3 13.9 1.0 N A:ARG102 3.5 10.0 1.0 CA A:GLY101 3.5 11.9 1.0 C A:GLY101 3.7 10.6 1.0 CG A:ARG102 3.8 10.1 1.0 O1S A:ZLJ201 3.8 19.3 0.7 CD A:GLN139 3.8 11.2 1.0 HE A:ARG102 3.9 11.9 1.0 HB2 A:GLN135 3.9 21.6 1.0 OE1 A:GLN135 3.9 27.1 1.0 HA A:ASP69 3.9 14.6 1.0 S A:ZLJ201 3.9 13.5 0.7 OE1 A:GLN139 4.0 12.4 1.0 HG23 A:THR136 4.0 19.8 1.0 HA3 A:GLY70 4.0 15.7 1.0 C A:GLY70 4.0 13.0 1.0 H A:GLY101 4.1 14.3 1.0 HA2 A:GLY101 4.1 14.3 1.0 C A:ASP69 4.1 12.1 1.0 HG2 A:ARG102 4.2 12.1 1.0 H A:GLY71 4.2 15.1 1.0 HA A:ARG102 4.3 11.6 1.0 CA A:ARG102 4.3 9.7 1.0 N A:GLY101 4.3 11.9 1.0 NE A:ARG102 4.4 9.9 1.0 N A:GLY71 4.4 12.5 1.0 HG21 A:THR136 4.5 19.8 1.0 CB A:ARG102 4.5 10.0 1.0 CA A:ASP69 4.5 12.2 1.0 HB2 A:ARG102 4.6 11.9 1.0 CD A:ARG102 4.6 9.9 1.0 OD1 A:ASP69 4.6 26.3 1.0 O A:GLY101 4.7 10.8 1.0 CG2 A:THR136 4.7 16.5 1.0 O3S A:ZLJ201 4.7 14.7 0.7 HD3 A:ARG102 4.8 11.8 1.0 O A:GLY70 4.8 14.3 1.0 CG A:ASP69 4.8 20.9 1.0 CB A:GLN135 4.8 18.0 1.0 CD A:GLN135 4.9 25.0 1.0 HG A:CYS96 5.0 12.7 1.0

J.Pinkston, J.Jo, K.J.Olsen, D.Comer, C.A.Glaittli, J.P.Loria, S.J.Johnson, A.C.Hengge. Significant Loop Motions in the Ssoptp Protein Tyrosine Phosphatase Allow For Dual General Acid Functionality. Biochemistry 2021.
ISSN: ISSN 0006-2960
PubMed: 34496202
DOI: 10.1021/ACS.BIOCHEM.1C00365