Atomistry » Bromine » PDB 2jlt-2qbs » 2nt7
Atomistry »
  Bromine »
    PDB 2jlt-2qbs »
      2nt7 »

Bromine in PDB 2nt7: Crystal Structure of PTP1B-Inhibitor Complex

Enzymatic activity of Crystal Structure of PTP1B-Inhibitor Complex

All present enzymatic activity of Crystal Structure of PTP1B-Inhibitor Complex:
3.1.3.48;

Protein crystallography data

The structure of Crystal Structure of PTP1B-Inhibitor Complex, PDB code: 2nt7 was solved by W.Xu, B.Follows, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.10
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.296, 88.296, 104.027, 90.00, 90.00, 120.00
R / Rfree (%) 20.6 / 23.1

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of PTP1B-Inhibitor Complex (pdb code 2nt7). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of PTP1B-Inhibitor Complex, PDB code: 2nt7:

Bromine binding site 1 out of 1 in 2nt7

Go back to Bromine Binding Sites List in 2nt7
Bromine binding site 1 out of 1 in the Crystal Structure of PTP1B-Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of PTP1B-Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br800

b:42.2
occ:1.00
BR19 A:902800 0.0 42.2 1.0
C4 A:902800 1.9 38.1 1.0
C3 A:902800 2.9 36.2 1.0
CG A:GLN262 2.9 35.2 1.0
C5 A:902800 3.0 37.9 1.0
O20 A:902800 3.3 34.2 1.0
O A:HOH834 3.3 19.8 1.0
CG1 A:ILE219 3.3 15.2 1.0
CD1 A:ILE219 3.5 14.4 1.0
C10 A:902800 3.5 38.5 1.0
C9 A:902800 3.5 38.5 1.0
CD A:GLN262 3.6 34.6 1.0
C21 A:902800 3.6 31.6 1.0
OE1 A:GLN262 3.6 37.3 1.0
CB A:ALA217 4.0 17.4 1.0
N A:GLY220 4.1 16.8 1.0
CB A:GLN262 4.1 29.3 1.0
C2 A:902800 4.2 36.2 1.0
CA A:GLY220 4.4 17.2 1.0
C22 A:902800 4.4 28.3 1.0
S1 A:902800 4.4 35.4 1.0
NE2 A:GLN262 4.5 37.7 1.0
CE1 A:PHE182 4.7 30.8 1.0
O A:HOH986 4.7 26.9 1.0
C11 A:902800 4.7 39.8 1.0
O25 A:902800 4.7 28.8 1.0
C14 A:902800 4.8 38.8 1.0
CB A:ILE219 4.8 15.5 1.0
CZ A:PHE182 4.9 32.3 1.0
C A:ILE219 5.0 16.5 1.0

Reference:

Z.K.Wan, B.Follows, S.Kirincich, D.Wilson, E.Binnun, W.Xu, D.Joseph-Mccarthy, J.Wu, M.Smith, Y.L.Zhang, M.Tam, D.Erbe, S.Tam, E.Saiah, J.Lee. Probing Acid Replacements of Thiophene PTP1B Inhibitors. Bioorg.Med.Chem.Lett. V. 17 2913 2007.
ISSN: ISSN 0960-894X
PubMed: 17336064
DOI: 10.1016/J.BMCL.2007.02.043
Page generated: Sat Dec 12 02:07:10 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy