Atomistry » Bromine » PDB 1p2x-1to3 » 1t48
Atomistry »
  Bromine »
    PDB 1p2x-1to3 »
      1t48 »

Bromine in PDB 1t48: Allosteric Inhibition of Protein Tyrosine Phosphatase 1B

Enzymatic activity of Allosteric Inhibition of Protein Tyrosine Phosphatase 1B

All present enzymatic activity of Allosteric Inhibition of Protein Tyrosine Phosphatase 1B:
3.1.3.48;

Protein crystallography data

The structure of Allosteric Inhibition of Protein Tyrosine Phosphatase 1B, PDB code: 1t48 was solved by C.Wiesmann, K.J.Barr, J.Kung, J.Zhu, W.Shen, B.J.Fahr, M.Zhong, D.A.Erlanson, L.Taylor, M.Randal, R.S.Mcdowell, S.K.Hansen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.20
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.941, 88.941, 104.837, 90.00, 90.00, 120.00
R / Rfree (%) 21.1 / 25.5

Bromine Binding Sites:

The binding sites of Bromine atom in the Allosteric Inhibition of Protein Tyrosine Phosphatase 1B (pdb code 1t48). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Allosteric Inhibition of Protein Tyrosine Phosphatase 1B, PDB code: 1t48:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1t48

Go back to Bromine Binding Sites List in 1t48
Bromine binding site 1 out of 2 in the Allosteric Inhibition of Protein Tyrosine Phosphatase 1B


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Allosteric Inhibition of Protein Tyrosine Phosphatase 1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br299

b:74.2
occ:1.00
BR22 A:BB3299 0.0 74.2 1.0
C13 A:BB3299 1.9 69.2 1.0
C14 A:BB3299 2.8 72.1 1.0
C12 A:BB3299 2.9 68.5 1.0
O20 A:BB3299 3.0 73.9 1.0
O A:HOH345 3.2 62.2 1.0
OE2 A:GLU200 3.3 73.6 1.0
CD A:GLU200 3.9 71.7 1.0
CB A:PHE196 3.9 47.5 1.0
O A:PHE196 4.1 50.5 1.0
C A:PHE196 4.2 42.8 1.0
C11 A:BB3299 4.2 67.7 1.0
C15 A:BB3299 4.2 74.2 1.0
CG A:GLU200 4.3 70.6 1.0
N A:LYS197 4.5 49.1 1.0
CD A:LYS197 4.5 75.8 1.0
CA A:PHE196 4.7 47.2 1.0
C16 A:BB3299 4.7 69.9 1.0
OE1 A:GLU200 4.7 68.8 1.0
CE A:LYS197 4.7 83.6 1.0
CA A:LYS197 4.9 52.2 1.0
ND2 A:ASN193 4.9 62.1 1.0
CG A:LYS197 4.9 67.5 1.0
O A:ASN193 5.0 50.1 1.0

Bromine binding site 2 out of 2 in 1t48

Go back to Bromine Binding Sites List in 1t48
Bromine binding site 2 out of 2 in the Allosteric Inhibition of Protein Tyrosine Phosphatase 1B


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Allosteric Inhibition of Protein Tyrosine Phosphatase 1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br299

b:78.0
occ:1.00
BR21 A:BB3299 0.0 78.0 1.0
C15 A:BB3299 1.9 74.2 1.0
C14 A:BB3299 2.8 72.1 1.0
C16 A:BB3299 2.9 69.9 1.0
O20 A:BB3299 3.0 73.9 1.0
NZ A:LYS292 3.4 0.2 1.0
O A:HOH442 3.4 71.0 1.0
CE2 A:PHE280 3.8 65.7 1.0
CD A:LYS292 3.9 0.9 1.0
CD2 A:PHE280 4.0 62.8 1.0
CD2 A:PHE196 4.0 62.1 1.0
C18 A:BB3299 4.1 61.9 1.0
CE2 A:PHE196 4.2 62.0 1.0
C11 A:BB3299 4.2 67.7 1.0
C13 A:BB3299 4.2 69.2 1.0
CE A:LYS292 4.3 0.8 1.0
C17 A:BB3299 4.4 63.5 1.0
C12 A:BB3299 4.7 68.5 1.0
CG1 A:ILE281 4.8 84.1 1.0
CZ A:PHE280 5.0 67.2 1.0
CG A:PHE196 5.0 56.5 1.0

Reference:

C.Wiesmann, K.J.Barr, J.Kung, J.Zhu, D.A.Erlanson, W.Shen, B.J.Fahr, M.Zhong, L.Taylor, M.Randal, R.S.Mcdowell, S.K.Hansen. Allosteric Inhibition of Protein Tyrosine Phosphatase 1B Nat.Struct.Mol.Biol. V. 11 730 2004.
ISSN: ISSN 1545-9993
PubMed: 15258570
DOI: 10.1038/NSMB803
Page generated: Wed Jul 10 17:21:44 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy