Chlorine in PDB 7mne: PTP1B P206G Mutation, Open State

All present enzymatic activity of PTP1B P206G Mutation, Open State:
3.1.3.48;

The structure of PTP1B P206G Mutation, Open State, PDB code: 7mne 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)	38.16 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.123, 88.123, 72.377, 90, 90, 120
R / Rfree (%)	16.3 / 17.6

The binding sites of Chlorine atom in the PTP1B P206G Mutation, Open State (pdb code 7mne). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the PTP1B P206G Mutation, Open State, PDB code: 7mne:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the PTP1B P206G Mutation, Open State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PTP1B P206G Mutation, Open State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:31.5 occ:1.00 O A:HOH592 3.0 26.0 1.0 N A:VAL113 3.1 24.0 1.0 O A:HOH640 3.1 26.8 1.0 CE1 A:HIS175 3.4 21.0 1.0 CA A:ARG112 3.7 27.8 1.0 CB A:VAL113 3.8 24.6 1.0 CG2 A:VAL113 3.9 22.8 1.0 C A:ARG112 3.9 25.4 1.0 CB A:ARG112 4.0 24.7 1.0 NE2 A:HIS175 4.0 18.6 1.0 O A:HOH583 4.0 35.5 1.0 CA A:VAL113 4.1 18.0 1.0 CG A:ARG112 4.1 38.6 1.0 CH2 A:TRP125 4.4 16.6 1.0 O A:HOH662 4.5 31.6 1.0 ND1 A:HIS175 4.5 17.6 1.0 CE A:MET109 4.8 19.9 1.0 CZ2 A:TRP125 4.8 18.1 1.0 O A:ASN111 4.9 21.9 1.0 N A:ARG112 5.0 23.9 1.0

Chlorine binding site 2 out of 4 in the PTP1B P206G Mutation, Open State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PTP1B P206G Mutation, Open State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:34.4 occ:1.00 NH2 A:ARG254 3.1 20.0 1.0 NH1 A:ARG254 3.2 19.7 1.0 NE A:ARG24 3.2 45.1 1.0 O A:HOH551 3.2 29.1 1.0 O A:HOH594 3.6 39.2 1.0 CZ A:ARG254 3.6 19.1 1.0 CG A:ARG24 3.7 26.0 1.0 CA A:GLY259 3.8 16.7 1.0 OH A:TYR20 3.9 24.6 1.0 CD A:ARG24 3.9 34.4 1.0 CZ A:ARG24 4.1 48.9 1.0 NH2 A:ARG24 4.1 54.6 1.0 O A:GLY259 4.4 19.3 1.0 C A:GLY259 4.5 18.1 1.0 CB A:ARG24 4.6 28.2 1.0 N A:GLY259 4.7 17.1 1.0 O A:HOH604 4.7 18.0 1.0 O A:ILE261 4.8 19.9 1.0 CZ A:TYR20 4.8 19.6 1.0 NE A:ARG254 4.9 18.8 1.0

Chlorine binding site 3 out of 4 in the PTP1B P206G Mutation, Open State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of PTP1B P206G Mutation, Open State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:38.8 occ:1.00 NH2 A:ARG238 3.1 36.3 1.0 N A:ASP245 3.2 30.1 1.0 NH1 A:ARG238 3.5 42.6 1.0 CB A:ASP245 3.7 28.0 1.0 O A:SER243 3.7 38.6 1.0 CZ A:ARG238 3.7 37.0 1.0 O A:ASP245 3.9 27.9 1.0 CA A:VAL244 3.9 27.1 1.0 CA A:ASP245 3.9 28.4 1.0 C A:VAL244 4.1 32.9 1.0 CG2 A:VAL249 4.3 23.2 1.0 CB A:LYS248 4.3 22.0 1.0 C A:ASP245 4.4 26.9 1.0 CD A:LYS248 4.4 40.0 1.0 C A:SER243 4.6 39.3 1.0 CG1 A:VAL244 4.7 26.2 1.0 N A:VAL244 4.8 31.5 1.0 CB A:VAL244 4.9 27.8 1.0 CG A:LYS248 4.9 31.0 1.0

Chlorine binding site 4 out of 4 in the PTP1B P206G Mutation, Open State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of PTP1B P206G Mutation, Open State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:37.0 occ:1.00 NH2 A:ARG79 3.2 30.2 1.0 NH1 A:ARG79 3.3 26.2 1.0 CD A:ARG199 3.7 20.5 1.0 CZ A:ARG79 3.7 23.8 1.0 CG A:ARG199 3.8 18.6 1.0 NE A:ARG199 3.8 22.8 1.0 CB A:ARG199 4.0 18.1 1.0 CZ A:ARG199 4.1 25.2 1.0 NH1 A:ARG199 4.2 27.5 1.0 CD2 A:LEU233 4.3 30.3 1.0 NH2 A:ARG199 4.8 23.1 1.0 CA A:ARG199 4.8 18.7 1.0 O A:HOH570 4.9 22.6 1.0 O A:HOH609 4.9 35.9 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