Chlorine in PDB 7mou: PTP1B F225Y-R199N-L195R

All present enzymatic activity of PTP1B F225Y-R199N-L195R:
3.1.3.48;

The structure of PTP1B F225Y-R199N-L195R, PDB code: 7mou 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)	38.29 / 1.48
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.427, 88.427, 72.459, 90, 90, 120
R / Rfree (%)	17.2 / 18

The binding sites of Chlorine atom in the PTP1B F225Y-R199N-L195R (pdb code 7mou). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the PTP1B F225Y-R199N-L195R, PDB code: 7mou:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the PTP1B F225Y-R199N-L195R


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:31.6 occ:1.00 NH2 A:ARG254 3.2 19.8 1.0 NH1 A:ARG254 3.2 20.5 1.0 NE A:ARG24 3.3 34.4 1.0 NE2 A:GLN262 3.4 18.0 0.7 CZ A:ARG254 3.6 17.4 1.0 O A:HOH605 3.7 32.7 1.0 O A:HOH570 3.8 33.2 1.0 CA A:GLY259 3.8 16.1 1.0 CG A:ARG24 3.9 27.1 1.0 OH A:TYR20 4.0 23.6 1.0 CD A:ARG24 4.0 33.5 1.0 NH2 A:ARG24 4.2 46.1 1.0 CZ A:ARG24 4.2 43.6 1.0 C A:GLY259 4.5 16.6 1.0 O A:GLY259 4.5 16.3 1.0 N A:GLY259 4.6 15.0 1.0 CB A:ARG24 4.6 27.4 1.0 CD A:GLN262 4.7 22.6 0.7 O A:HOH520 4.7 17.3 1.0 O A:ILE261 4.7 20.7 1.0 NE A:ARG254 4.9 16.9 1.0 CZ A:TYR20 4.9 22.0 1.0

Chlorine binding site 2 out of 3 in the PTP1B F225Y-R199N-L195R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PTP1B F225Y-R199N-L195R within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:31.5 occ:1.00 NH2 A:ARG238 3.1 29.8 1.0 O3 A:GOL306 3.2 38.2 1.0 N A:ASP245 3.2 24.7 1.0 NH1 A:ARG238 3.4 32.3 1.0 CB A:ASP245 3.7 27.5 1.0 CZ A:ARG238 3.7 34.5 1.0 O A:SER243 3.8 33.3 1.0 O A:ASP245 3.9 21.1 1.0 CA A:ASP245 4.0 24.9 1.0 CA A:VAL244 4.0 26.6 1.0 C3 A:GOL306 4.1 30.7 1.0 C A:VAL244 4.1 28.2 1.0 CG2 A:VAL249 4.3 19.6 1.0 CB A:LYS248 4.3 23.9 1.0 C A:ASP245 4.4 22.9 1.0 CD A:LYS248 4.5 31.6 1.0 C A:SER243 4.7 32.5 1.0 C2 A:GOL306 4.8 41.6 1.0 CG1 A:VAL244 4.8 26.1 1.0 N A:VAL244 4.9 29.3 1.0 CG A:ASP245 5.0 28.9 1.0 CG A:LYS248 5.0 26.0 1.0 CB A:VAL244 5.0 27.3 1.0

Chlorine binding site 3 out of 3 in the PTP1B F225Y-R199N-L195R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of PTP1B F225Y-R199N-L195R within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:26.5 occ:1.00 N A:LYS39 3.3 16.6 1.0 CD A:PRO38 3.6 17.8 1.0 CB A:LYS39 3.6 21.5 1.0 CG A:LYS39 3.6 22.5 1.0 N A:PRO38 3.7 16.9 1.0 CB A:LEU37 3.9 17.3 1.0 CD A:LYS39 4.0 26.9 1.0 CA A:LYS39 4.1 18.7 1.0 CB A:PRO38 4.1 19.9 1.0 C A:PRO38 4.2 19.2 1.0 CG A:PRO38 4.2 22.8 1.0 CA A:PRO38 4.3 17.6 1.0 C A:LEU37 4.3 15.8 1.0 CD2 A:LEU37 4.3 20.4 1.0 CA A:LEU37 4.5 16.1 1.0 CG A:LEU37 4.6 17.4 1.0 CD1 A:LEU37 4.8 18.9 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