Chlorine in PDB 7mnb: PTP1B F225Y-R199N-L195R in Complex with TCS401

All present enzymatic activity of PTP1B F225Y-R199N-L195R in Complex with TCS401:
3.1.3.48;

The structure of PTP1B F225Y-R199N-L195R in Complex with TCS401, PDB code: 7mnb was solved by K.R.Torgeson, R.Page, W.Peti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.46 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.82, 88.82, 106.007, 90, 90, 120
R / Rfree (%)	16.4 / 19.9

The binding sites of Chlorine atom in the PTP1B F225Y-R199N-L195R in Complex with TCS401 (pdb code 7mnb). 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 PTP1B F225Y-R199N-L195R in Complex with TCS401, PDB code: 7mnb:

Chlorine binding site 1 out of 1 in the PTP1B F225Y-R199N-L195R in Complex with TCS401


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PTP1B F225Y-R199N-L195R in Complex with TCS401 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:30.6 occ:1.00 NH2 A:ARG45 3.1 21.5 1.0 N A:ALA122 3.5 24.7 1.0 NH1 A:ARG45 3.5 23.8 1.0 C A:CYS121 3.7 28.2 1.0 CD A:PRO89 3.7 32.1 1.0 CZ A:ARG45 3.7 24.6 1.0 CA A:ALA122 3.8 27.2 1.0 O A:LEU119 4.0 31.6 1.0 O A:CYS121 4.0 28.2 1.0 CB A:ALA122 4.0 22.8 1.0 O A:PRO87 4.2 26.0 1.0 N A:CYS121 4.2 27.6 1.0 CA A:CYS121 4.2 25.1 1.0 CG A:PRO89 4.2 32.9 1.0 O A:HOH600 4.4 40.8 1.0 CB A:LEU119 4.4 28.7 1.0 CD2 A:LEU88 4.5 29.4 1.0 CA A:LEU88 4.5 29.7 1.0 C A:LEU119 4.6 32.6 1.0 N A:PRO89 4.6 31.2 1.0 C A:LYS120 4.9 27.5 1.0 C A:LEU88 4.9 27.0 1.0

K.R.Torgeson, M.W.Clarkson, D.Granata, K.Lindorff-Larsen, R.Page, W.Peti. Conserved Conformational Dynamics Determine Enzyme Activity. Sci Adv V. 8 O5546 2022.
ISSN: ESSN 2375-2548
PubMed: 35921420
DOI: 10.1126/SCIADV.ABO5546