Atomistry » Chlorine » PDB 7mne-7mzr » 7mnf
Atomistry »
  Chlorine »
    PDB 7mne-7mzr »
      7mnf »

Chlorine in PDB 7mnf: PTP1B P206G in Complex with TCS401

Enzymatic activity of PTP1B P206G in Complex with TCS401

All present enzymatic activity of PTP1B P206G in Complex with TCS401:
3.1.3.48;

Protein crystallography data

The structure of PTP1B P206G in Complex with TCS401, PDB code: 7mnf 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) 22.62 / 1.70
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.331, 88.331, 72.646, 90, 90, 120
R / Rfree (%) 18.2 / 20.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the PTP1B P206G in Complex with TCS401 (pdb code 7mnf). 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 in Complex with TCS401, PDB code: 7mnf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7mnf

Go back to Chlorine Binding Sites List in 7mnf
Chlorine binding site 1 out of 4 in the PTP1B P206G 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 P206G in Complex with TCS401 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:23.7
occ:1.00
N A:LYS39 3.2 16.4 1.0
CD A:PRO38 3.5 14.4 1.0
CB A:LYS39 3.6 16.8 1.0
N A:PRO38 3.6 13.8 1.0
CG A:LYS39 3.8 20.8 1.0
CB A:LEU37 3.9 11.9 1.0
CD A:LYS39 4.0 27.1 1.0
CB A:PRO38 4.0 19.6 1.0
CA A:LYS39 4.0 13.7 1.0
C A:PRO38 4.2 15.8 1.0
CA A:PRO38 4.2 14.3 1.0
CG A:PRO38 4.2 21.8 1.0
C A:LEU37 4.2 13.6 1.0
CA A:LEU37 4.5 13.0 1.0
CD2 A:LEU37 4.5 16.6 1.0
CG A:LEU37 4.6 13.5 1.0
CD1 A:LEU37 4.9 19.0 1.0
O A:LEU37 4.9 14.7 1.0

Chlorine binding site 2 out of 4 in 7mnf

Go back to Chlorine Binding Sites List in 7mnf
Chlorine binding site 2 out of 4 in the PTP1B P206G in Complex with TCS401


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PTP1B P206G in Complex with TCS401 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:34.5
occ:1.00
NH1 A:ARG24 2.9 53.9 1.0
NH2 A:ARG254 3.2 21.8 1.0
NH1 A:ARG254 3.3 19.0 1.0
CZ A:ARG254 3.6 17.4 1.0
O A:HOH705 3.7 32.8 1.0
NE2 A:GLN262 3.7 25.7 0.7
CZ A:ARG24 3.8 45.3 1.0
CA A:GLY259 3.8 16.3 1.0
CG A:ARG24 3.8 29.5 1.0
OH A:TYR20 3.9 22.0 1.0
CD A:ARG24 4.0 35.4 1.0
NE A:ARG24 4.2 49.8 1.0
O A:GLY259 4.6 23.9 1.0
C A:GLY259 4.6 18.4 1.0
CB A:ARG24 4.6 25.8 1.0
N A:GLY259 4.6 16.0 1.0
NH2 A:ARG24 4.7 58.9 1.0
O A:ILE261 4.8 20.2 1.0
O A:HOH639 4.9 15.6 1.0
CZ A:TYR20 4.9 29.7 1.0
NE A:ARG254 4.9 19.6 1.0
CD A:GLN262 5.0 20.8 0.7

Chlorine binding site 3 out of 4 in 7mnf

Go back to Chlorine Binding Sites List in 7mnf
Chlorine binding site 3 out of 4 in the PTP1B P206G in Complex with TCS401


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of PTP1B P206G in Complex with TCS401 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:24.5
occ:1.00
N A:VAL113 3.1 20.1 1.0
O A:HOH679 3.1 22.5 1.0
O A:HOH572 3.1 20.9 1.0
CE1 A:HIS175 3.5 16.8 1.0
CA A:ARG112 3.7 34.0 1.0
CB A:VAL113 3.8 21.7 1.0
CG2 A:VAL113 3.9 21.9 1.0
C A:ARG112 3.9 20.8 1.0
CB A:ARG112 3.9 22.9 1.0
CA A:VAL113 4.0 13.5 1.0
O A:HOH610 4.0 26.2 1.0
CG A:ARG112 4.1 27.6 1.0
NE2 A:HIS175 4.1 15.3 1.0
CH2 A:TRP125 4.4 14.4 1.0
O A:HOH697 4.4 37.1 1.0
O A:HOH691 4.5 21.2 1.0
ND1 A:HIS175 4.6 15.7 1.0
CE A:MET109 4.7 19.6 1.0
O A:HOH724 4.8 32.6 1.0
CZ2 A:TRP125 4.8 13.2 1.0
N A:MET114 4.9 27.2 1.0
O A:ASN111 4.9 19.8 1.0
N A:ARG112 5.0 21.5 1.0

Chlorine binding site 4 out of 4 in 7mnf

Go back to Chlorine Binding Sites List in 7mnf
Chlorine binding site 4 out of 4 in the PTP1B P206G in Complex with TCS401


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of PTP1B P206G in Complex with TCS401 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:35.7
occ:1.00
NH2 A:ARG45 2.9 19.6 1.0
O A:HOH730 3.1 21.9 1.0
NH1 A:ARG45 3.5 19.5 1.0
CD A:PRO89 3.6 13.3 1.0
CZ A:ARG45 3.7 17.2 1.0
N A:ALA122 3.8 16.3 1.0
C A:CYS121 4.0 13.6 1.0
CG A:PRO89 4.1 16.6 1.0
CA A:ALA122 4.1 18.2 1.0
O A:CYS121 4.3 17.9 1.0
CB A:ALA122 4.3 14.3 1.0
CD2 A:LEU88 4.4 21.4 1.0
O A:PRO87 4.4 14.1 1.0
O A:HOH656 4.5 24.3 1.0
CA A:LEU88 4.5 12.4 1.0
CA A:CYS121 4.6 13.2 1.0
N A:CYS121 4.6 14.4 1.0
N A:PRO89 4.6 12.3 1.0
O A:HOH502 4.7 33.4 1.0
NE A:ARG45 5.0 14.6 1.0
C A:LEU88 5.0 10.8 1.0

Reference:

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
Page generated: Sun Jul 13 04:10:54 2025

Last articles

Fe in 2FW5
Fe in 2FRZ
Fe in 2FRK
Fe in 2FRJ
Fe in 2FRI
Fe in 2FRF
Fe in 2FRC
Fe in 2FR7
Fe in 2FLA
Fe in 2FNQ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy