Atomistry » Fluorine » PDB 5qc0-5qor » 5qep
Atomistry »
  Fluorine »
    PDB 5qc0-5qor »
      5qep »

Fluorine in PDB 5qep: Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B:
3.1.3.48;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B, PDB code: 5qep was solved by D.A.Keedy, Z.B.Hill, J.T.Biel, E.Kang, T.J.Rettenmaier, J.Brandao-Neto, F.Von Delft, J.A.Wells, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.96 / 1.77
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 89.923, 89.923, 106.547, 90.00, 90.00, 120.00
R / Rfree (%) 18.6 / 21.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B (pdb code 5qep). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B, PDB code: 5qep:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5qep

Go back to Fluorine Binding Sites List in 5qep
Fluorine binding site 1 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:36.6
occ:0.11
F16 A:JL7401 0.0 36.6 0.1
F17 A:JL7401 0.0 36.7 0.1
C15 A:JL7401 1.3 40.5 0.1
C15 A:JL7401 1.3 40.5 0.1
F17 A:JL7401 2.0 72.8 0.1
F18 A:JL7401 2.0 72.8 0.1
F16 A:JL7401 2.1 41.6 0.1
F18 A:JL7401 2.2 41.7 0.1
C12 A:JL7401 2.3 36.5 0.1
C12 A:JL7401 2.3 36.5 0.1
H111 A:JL7401 2.4 58.5 0.1
H111 A:JL7401 2.4 58.5 0.1
C11 A:JL7401 2.7 48.7 0.1
C11 A:JL7401 2.7 48.7 0.1
HA A:GLU76 2.8 45.4 0.1
HA A:GLU76 2.8 45.4 0.1
HA A:GLU76 2.9 46.2 0.4
HA A:GLU76 2.9 46.2 0.4
HB2 A:GLU76 3.0 41.4 0.4
HB2 A:GLU76 3.0 41.4 0.4
HB2 A:GLU76 3.1 44.8 0.1
HB2 A:GLU76 3.1 44.8 0.1
HB3 A:GLU75 3.2 63.6 0.1
HB3 A:GLU75 3.2 63.6 0.1
HG2 A:GLU75 3.3 55.3 0.4
HG2 A:GLU75 3.3 55.3 0.4
CA A:GLU76 3.5 38.5 0.4
CA A:GLU76 3.5 38.5 0.4
HG3 A:GLU76 3.5 52.0 0.4
HG3 A:GLU76 3.5 52.0 0.4
CA A:GLU76 3.6 37.9 0.1
CA A:GLU76 3.6 37.9 0.1
C13 A:JL7401 3.6 42.2 0.1
C13 A:JL7401 3.6 42.2 0.1
CB A:GLU76 3.6 34.5 0.4
CB A:GLU76 3.6 34.5 0.4
N A:GLU76 3.7 33.9 0.1
N A:GLU76 3.7 33.9 0.1
CB A:GLU76 3.7 37.4 0.1
CB A:GLU76 3.7 37.4 0.1
N A:GLU76 3.7 34.6 0.4
N A:GLU76 3.7 34.6 0.4
HG3 A:GLU76 3.9 48.8 0.1
HG3 A:GLU76 3.9 48.8 0.1
H A:GLU76 3.9 40.7 0.1
H A:GLU76 3.9 40.7 0.1
C10 A:JL7401 4.0 52.3 0.1
C10 A:JL7401 4.0 52.3 0.1
H131 A:JL7401 4.0 50.6 0.1
H131 A:JL7401 4.0 50.6 0.1
H A:GLU76 4.0 41.6 0.4
H A:GLU76 4.0 41.6 0.4
CG A:GLU76 4.1 43.3 0.4
CG A:GLU76 4.1 43.3 0.4
CB A:GLU75 4.1 53.0 0.1
CB A:GLU75 4.1 53.0 0.1
HB3 A:GLU75 4.2 49.9 0.4
HB3 A:GLU75 4.2 49.9 0.4
C A:GLU75 4.2 30.8 0.1
C A:GLU75 4.2 30.8 0.1
CG A:GLU75 4.2 46.1 0.4
CG A:GLU75 4.2 46.1 0.4
OE1 A:GLU75 4.2 60.9 0.1
OE1 A:GLU75 4.2 60.9 0.1
C A:GLU75 4.3 27.8 0.4
C A:GLU75 4.3 27.8 0.4
CG A:GLU76 4.3 40.7 0.1
CG A:GLU76 4.3 40.7 0.1
HB2 A:GLU75 4.4 63.6 0.1
HB2 A:GLU75 4.4 63.6 0.1
HB3 A:GLU76 4.4 41.4 0.4
HB3 A:GLU76 4.4 41.4 0.4
H101 A:JL7401 4.5 62.8 0.1
H101 A:JL7401 4.5 62.8 0.1
O A:GLU75 4.5 36.1 0.1
O A:GLU75 4.5 36.1 0.1
HB3 A:GLU76 4.5 44.8 0.1
HB3 A:GLU76 4.5 44.8 0.1
O A:GLU75 4.5 36.0 0.4
O A:GLU75 4.5 36.0 0.4
CB A:GLU75 4.6 41.6 0.4
CB A:GLU75 4.6 41.6 0.4
CD A:GLU75 4.7 73.2 0.1
CD A:GLU75 4.7 73.2 0.1
CD A:GLU75 4.7 83.1 0.4
CD A:GLU75 4.7 83.1 0.4
C14 A:JL7401 4.7 42.9 0.1
C14 A:JL7401 4.7 42.9 0.1
HG2 A:GLU76 4.8 52.0 0.4
HG2 A:GLU76 4.8 52.0 0.4
CA A:GLU75 4.9 32.9 0.1
CA A:GLU75 4.9 32.9 0.1
HG3 A:GLU75 4.9 55.3 0.4
HG3 A:GLU75 4.9 55.3 0.4
C09 A:JL7401 4.9 47.1 0.1
C09 A:JL7401 4.9 47.1 0.1
OE1 A:GLU75 4.9 66.5 0.4
OE1 A:GLU75 4.9 66.5 0.4
C A:GLU76 4.9 38.0 0.4
C A:GLU76 4.9 38.0 0.4
CG A:GLU75 5.0 57.4 0.1
CG A:GLU75 5.0 57.4 0.1
C A:GLU76 5.0 38.0 0.1
C A:GLU76 5.0 38.1 0.1

Fluorine binding site 2 out of 6 in 5qep

Go back to Fluorine Binding Sites List in 5qep
Fluorine binding site 2 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:41.6
occ:0.11
F16 A:JL7401 0.0 41.6 0.1
F18 A:JL7401 0.0 41.7 0.1
C15 A:JL7401 1.3 40.5 0.1
C15 A:JL7401 1.3 40.5 0.1
F17 A:JL7401 2.1 72.8 0.1
F18 A:JL7401 2.1 72.8 0.1
F17 A:JL7401 2.1 36.7 0.1
F16 A:JL7401 2.1 36.6 0.1
C12 A:JL7401 2.4 36.5 0.1
C12 A:JL7401 2.4 36.5 0.1
H131 A:JL7401 2.6 50.6 0.1
H131 A:JL7401 2.6 50.6 0.1
C13 A:JL7401 2.8 42.2 0.1
C13 A:JL7401 2.8 42.2 0.1
HB2 A:GLU76 3.3 41.4 0.4
HB2 A:GLU76 3.3 41.4 0.4
HB3 A:GLU75 3.5 63.6 0.1
HB3 A:GLU75 3.5 63.6 0.1
OE1 A:GLU75 3.5 60.9 0.1
OE1 A:GLU75 3.5 60.9 0.1
HB2 A:GLU76 3.5 44.8 0.1
HB2 A:GLU76 3.5 44.8 0.1
C11 A:JL7401 3.5 48.7 0.1
C11 A:JL7401 3.5 48.7 0.1
H111 A:JL7401 3.9 58.5 0.1
H111 A:JL7401 3.9 58.5 0.1
HB3 A:GLU75 3.9 49.9 0.4
HB3 A:GLU75 3.9 49.9 0.4
HG2 A:GLU75 4.0 55.3 0.4
HG2 A:GLU75 4.0 55.3 0.4
HB2 A:GLU75 4.0 63.6 0.1
HB2 A:GLU75 4.0 63.6 0.1
H A:GLU76 4.2 40.7 0.1
H A:GLU76 4.2 40.7 0.1
CB A:GLU75 4.2 53.0 0.1
CB A:GLU75 4.2 53.0 0.1
H A:GLU76 4.2 41.6 0.4
H A:GLU76 4.2 41.6 0.4
C14 A:JL7401 4.2 42.9 0.1
C14 A:JL7401 4.2 42.9 0.1
CB A:GLU76 4.2 34.5 0.4
CB A:GLU76 4.2 34.5 0.4
OE1 A:GLU75 4.2 66.5 0.4
OE1 A:GLU75 4.2 66.5 0.4
HA A:GLU76 4.3 45.4 0.1
HA A:GLU76 4.3 45.4 0.1
HA A:GLU76 4.4 46.2 0.4
HA A:GLU76 4.4 46.2 0.4
CD A:GLU75 4.4 73.2 0.1
CD A:GLU75 4.4 73.2 0.1
CB A:GLU76 4.4 37.4 0.1
CB A:GLU76 4.4 37.4 0.1
N A:GLU76 4.4 33.9 0.1
N A:GLU76 4.4 33.9 0.1
N A:GLU76 4.5 34.6 0.4
N A:GLU76 4.5 34.6 0.4
CG A:GLU75 4.6 46.1 0.4
CG A:GLU75 4.6 46.1 0.4
O A:HOH673 4.6 44.6 1.0
CD A:GLU75 4.6 83.1 0.4
CD A:GLU75 4.6 83.1 0.4
CA A:GLU76 4.6 38.5 0.4
CA A:GLU76 4.6 38.5 0.4
C10 A:JL7401 4.6 52.3 0.1
C10 A:JL7401 4.6 52.3 0.1
HG3 A:GLU76 4.7 52.0 0.4
HG3 A:GLU76 4.7 52.0 0.4
CA A:GLU76 4.7 37.9 0.1
CA A:GLU76 4.7 37.9 0.1
CB A:GLU75 4.7 41.6 0.4
CB A:GLU75 4.7 41.6 0.4
HB3 A:GLU76 4.8 41.4 0.4
HB3 A:GLU76 4.8 41.4 0.4
H141 A:JL7401 4.9 51.5 0.1
H141 A:JL7401 4.9 51.5 0.1
HB3 A:GLU76 4.9 44.8 0.1
HB3 A:GLU76 4.9 44.8 0.1
CG A:GLU75 4.9 57.4 0.1
CG A:GLU75 4.9 57.4 0.1
CG A:GLU76 5.0 43.3 0.4
CG A:GLU76 5.0 43.3 0.4

Fluorine binding site 3 out of 6 in 5qep

Go back to Fluorine Binding Sites List in 5qep
Fluorine binding site 3 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:72.8
occ:0.11
F17 A:JL7401 0.0 72.8 0.1
F18 A:JL7401 0.0 72.8 0.1
C15 A:JL7401 1.3 40.5 0.1
C15 A:JL7401 1.3 40.5 0.1
F17 A:JL7401 2.0 36.7 0.1
F16 A:JL7401 2.0 36.6 0.1
F16 A:JL7401 2.1 41.6 0.1
F18 A:JL7401 2.1 41.7 0.1
C12 A:JL7401 2.4 36.5 0.1
C12 A:JL7401 2.4 36.5 0.1
C11 A:JL7401 3.1 48.7 0.1
C11 A:JL7401 3.1 48.7 0.1
H111 A:JL7401 3.2 58.5 0.1
H111 A:JL7401 3.2 58.5 0.1
C13 A:JL7401 3.3 42.2 0.1
C13 A:JL7401 3.3 42.2 0.1
H131 A:JL7401 3.5 50.6 0.1
H131 A:JL7401 3.5 50.6 0.1
OE1 A:GLU75 4.1 60.9 0.1
OE1 A:GLU75 4.1 60.9 0.1
HG2 A:GLU75 4.3 55.3 0.4
HG2 A:GLU75 4.3 55.3 0.4
C10 A:JL7401 4.3 52.3 0.1
C10 A:JL7401 4.3 52.3 0.1
HB3 A:GLU75 4.4 63.6 0.1
HB3 A:GLU75 4.4 63.6 0.1
HB2 A:GLU76 4.5 41.4 0.4
HB2 A:GLU76 4.5 41.4 0.4
C14 A:JL7401 4.5 42.9 0.1
C14 A:JL7401 4.5 42.9 0.1
HB2 A:GLU76 4.6 44.8 0.1
HB2 A:GLU76 4.6 44.8 0.1
HA A:GLU76 4.8 45.4 0.1
HA A:GLU76 4.8 45.4 0.1
HA A:GLU76 4.8 46.2 0.4
HA A:GLU76 4.8 46.2 0.4
CD A:GLU75 4.9 73.2 0.1
CD A:GLU75 4.9 73.2 0.1
CD A:GLU75 5.0 83.1 0.4
CD A:GLU75 5.0 83.1 0.4
OE1 A:GLU75 5.0 66.5 0.4
OE1 A:GLU75 5.0 66.5 0.4
HG3 A:GLU76 5.0 52.0 0.4
HG3 A:GLU76 5.0 52.0 0.4
H101 A:JL7401 5.0 62.8 0.1
H101 A:JL7401 5.0 62.8 0.1

Fluorine binding site 4 out of 6 in 5qep

Go back to Fluorine Binding Sites List in 5qep
Fluorine binding site 4 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:36.7
occ:0.11
F17 A:JL7401 0.0 36.7 0.1
F16 A:JL7401 0.0 36.6 0.1
C15 A:JL7401 1.3 40.5 0.1
C15 A:JL7401 1.3 40.5 0.1
F17 A:JL7401 2.0 72.8 0.1
F18 A:JL7401 2.0 72.8 0.1
F16 A:JL7401 2.1 41.6 0.1
F18 A:JL7401 2.1 41.7 0.1
C12 A:JL7401 2.3 36.5 0.1
C12 A:JL7401 2.3 36.5 0.1
H111 A:JL7401 2.4 58.5 0.1
H111 A:JL7401 2.4 58.5 0.1
C11 A:JL7401 2.7 48.7 0.1
C11 A:JL7401 2.7 48.7 0.1
HA A:GLU76 2.8 45.4 0.1
HA A:GLU76 2.8 45.4 0.1
HA A:GLU76 2.9 46.2 0.4
HA A:GLU76 2.9 46.2 0.4
HB2 A:GLU76 3.0 41.4 0.4
HB2 A:GLU76 3.0 41.4 0.4
HB2 A:GLU76 3.1 44.8 0.1
HB2 A:GLU76 3.1 44.8 0.1
HB3 A:GLU75 3.2 63.6 0.1
HB3 A:GLU75 3.2 63.6 0.1
HG2 A:GLU75 3.3 55.3 0.4
HG2 A:GLU75 3.3 55.3 0.4
CA A:GLU76 3.5 38.5 0.4
CA A:GLU76 3.5 38.5 0.4
HG3 A:GLU76 3.5 52.0 0.4
HG3 A:GLU76 3.5 52.0 0.4
CA A:GLU76 3.6 37.9 0.1
CA A:GLU76 3.6 37.9 0.1
C13 A:JL7401 3.6 42.2 0.1
C13 A:JL7401 3.6 42.2 0.1
CB A:GLU76 3.6 34.5 0.4
CB A:GLU76 3.6 34.5 0.4
N A:GLU76 3.7 33.9 0.1
N A:GLU76 3.7 33.9 0.1
CB A:GLU76 3.7 37.4 0.1
CB A:GLU76 3.7 37.4 0.1
N A:GLU76 3.7 34.6 0.4
N A:GLU76 3.7 34.6 0.4
HG3 A:GLU76 3.9 48.8 0.1
HG3 A:GLU76 3.9 48.8 0.1
H A:GLU76 3.9 40.7 0.1
H A:GLU76 3.9 40.7 0.1
C10 A:JL7401 4.0 52.3 0.1
C10 A:JL7401 4.0 52.3 0.1
H131 A:JL7401 4.0 50.6 0.1
H131 A:JL7401 4.0 50.6 0.1
H A:GLU76 4.0 41.6 0.4
H A:GLU76 4.0 41.6 0.4
CG A:GLU76 4.1 43.3 0.4
CG A:GLU76 4.1 43.3 0.4
CB A:GLU75 4.1 53.0 0.1
CB A:GLU75 4.1 53.0 0.1
HB3 A:GLU75 4.2 49.9 0.4
HB3 A:GLU75 4.2 49.9 0.4
C A:GLU75 4.2 30.8 0.1
C A:GLU75 4.2 30.8 0.1
CG A:GLU75 4.2 46.1 0.4
CG A:GLU75 4.2 46.1 0.4
OE1 A:GLU75 4.2 60.9 0.1
OE1 A:GLU75 4.2 60.9 0.1
C A:GLU75 4.3 27.8 0.4
C A:GLU75 4.3 27.8 0.4
CG A:GLU76 4.4 40.7 0.1
CG A:GLU76 4.4 40.7 0.1
HB2 A:GLU75 4.4 63.6 0.1
HB2 A:GLU75 4.4 63.6 0.1
HB3 A:GLU76 4.4 41.4 0.4
HB3 A:GLU76 4.4 41.4 0.4
H101 A:JL7401 4.5 62.8 0.1
H101 A:JL7401 4.5 62.8 0.1
O A:GLU75 4.5 36.1 0.1
O A:GLU75 4.5 36.1 0.1
HB3 A:GLU76 4.5 44.8 0.1
HB3 A:GLU76 4.5 44.8 0.1
O A:GLU75 4.5 36.0 0.4
O A:GLU75 4.5 36.0 0.4
CB A:GLU75 4.6 41.6 0.4
CB A:GLU75 4.6 41.6 0.4
CD A:GLU75 4.7 73.2 0.1
CD A:GLU75 4.7 73.2 0.1
CD A:GLU75 4.7 83.1 0.4
CD A:GLU75 4.7 83.1 0.4
C14 A:JL7401 4.7 42.9 0.1
C14 A:JL7401 4.7 42.9 0.1
HG2 A:GLU76 4.8 52.0 0.4
HG2 A:GLU76 4.8 52.0 0.4
CA A:GLU75 4.9 32.9 0.1
CA A:GLU75 4.9 32.9 0.1
HG3 A:GLU75 4.9 55.3 0.4
HG3 A:GLU75 4.9 55.3 0.4
OE1 A:GLU75 4.9 66.5 0.4
OE1 A:GLU75 4.9 66.5 0.4
C09 A:JL7401 4.9 47.1 0.1
C09 A:JL7401 4.9 47.1 0.1
C A:GLU76 4.9 38.0 0.4
C A:GLU76 4.9 38.0 0.4
CG A:GLU75 5.0 57.4 0.1
CG A:GLU75 5.0 57.4 0.1
C A:GLU76 5.0 38.0 0.1
C A:GLU76 5.0 38.1 0.1

Fluorine binding site 5 out of 6 in 5qep

Go back to Fluorine Binding Sites List in 5qep
Fluorine binding site 5 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:41.7
occ:0.11
F18 A:JL7401 0.0 41.7 0.1
F16 A:JL7401 0.0 41.6 0.1
C15 A:JL7401 1.3 40.5 0.1
C15 A:JL7401 1.4 40.5 0.1
F17 A:JL7401 2.1 72.8 0.1
F18 A:JL7401 2.1 72.8 0.1
F17 A:JL7401 2.1 36.7 0.1
F16 A:JL7401 2.2 36.6 0.1
C12 A:JL7401 2.4 36.5 0.1
C12 A:JL7401 2.4 36.5 0.1
H131 A:JL7401 2.6 50.6 0.1
H131 A:JL7401 2.6 50.6 0.1
C13 A:JL7401 2.9 42.2 0.1
C13 A:JL7401 2.9 42.2 0.1
HB2 A:GLU76 3.3 41.4 0.4
HB2 A:GLU76 3.3 41.4 0.4
HB3 A:GLU75 3.5 63.6 0.1
HB3 A:GLU75 3.5 63.6 0.1
OE1 A:GLU75 3.5 60.9 0.1
OE1 A:GLU75 3.5 60.9 0.1
HB2 A:GLU76 3.5 44.8 0.1
HB2 A:GLU76 3.5 44.8 0.1
C11 A:JL7401 3.6 48.7 0.1
C11 A:JL7401 3.6 48.7 0.1
HB3 A:GLU75 3.9 49.9 0.4
HB3 A:GLU75 3.9 49.9 0.4
H111 A:JL7401 3.9 58.5 0.1
H111 A:JL7401 3.9 58.5 0.1
HG2 A:GLU75 4.0 55.3 0.4
HG2 A:GLU75 4.0 55.3 0.4
HB2 A:GLU75 4.0 63.6 0.1
HB2 A:GLU75 4.0 63.6 0.1
CB A:GLU75 4.2 53.0 0.1
CB A:GLU75 4.2 53.0 0.1
H A:GLU76 4.2 40.7 0.1
H A:GLU76 4.2 40.7 0.1
H A:GLU76 4.2 41.6 0.4
H A:GLU76 4.2 41.6 0.4
CB A:GLU76 4.2 34.5 0.4
CB A:GLU76 4.2 34.5 0.4
C14 A:JL7401 4.2 42.9 0.1
OE1 A:GLU75 4.2 66.5 0.4
OE1 A:GLU75 4.2 66.5 0.4
C14 A:JL7401 4.2 42.9 0.1
HA A:GLU76 4.3 45.4 0.1
HA A:GLU76 4.3 45.4 0.1
HA A:GLU76 4.4 46.2 0.4
HA A:GLU76 4.4 46.2 0.4
CD A:GLU75 4.4 73.2 0.1
CD A:GLU75 4.4 73.2 0.1
CB A:GLU76 4.4 37.4 0.1
CB A:GLU76 4.4 37.4 0.1
N A:GLU76 4.4 33.9 0.1
N A:GLU76 4.4 33.9 0.1
N A:GLU76 4.4 34.6 0.4
N A:GLU76 4.4 34.6 0.4
CG A:GLU75 4.6 46.1 0.4
CG A:GLU75 4.6 46.1 0.4
CD A:GLU75 4.6 83.1 0.4
CD A:GLU75 4.6 83.1 0.4
O A:HOH673 4.6 44.6 1.0
CA A:GLU76 4.6 38.5 0.4
CA A:GLU76 4.6 38.5 0.4
C10 A:JL7401 4.6 52.3 0.1
C10 A:JL7401 4.6 52.3 0.1
HG3 A:GLU76 4.7 52.0 0.4
HG3 A:GLU76 4.7 52.0 0.4
CA A:GLU76 4.7 37.9 0.1
CA A:GLU76 4.7 37.9 0.1
CB A:GLU75 4.7 41.6 0.4
CB A:GLU75 4.7 41.6 0.4
HB3 A:GLU76 4.8 41.4 0.4
HB3 A:GLU76 4.8 41.4 0.4
CG A:GLU75 4.9 57.4 0.1
CG A:GLU75 4.9 57.4 0.1
H141 A:JL7401 4.9 51.5 0.1
H141 A:JL7401 4.9 51.5 0.1
HB3 A:GLU76 4.9 44.8 0.1
HB3 A:GLU76 4.9 44.8 0.1
CG A:GLU76 5.0 43.3 0.4
CG A:GLU76 5.0 43.3 0.4

Fluorine binding site 6 out of 6 in 5qep

Go back to Fluorine Binding Sites List in 5qep
Fluorine binding site 6 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_XST00000692B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:72.8
occ:0.11
F18 A:JL7401 0.0 72.8 0.1
F17 A:JL7401 0.0 72.8 0.1
C15 A:JL7401 1.3 40.5 0.1
C15 A:JL7401 1.3 40.5 0.1
F17 A:JL7401 2.0 36.7 0.1
F16 A:JL7401 2.0 36.6 0.1
F16 A:JL7401 2.1 41.6 0.1
F18 A:JL7401 2.1 41.7 0.1
C12 A:JL7401 2.4 36.5 0.1
C12 A:JL7401 2.4 36.5 0.1
C11 A:JL7401 3.1 48.7 0.1
C11 A:JL7401 3.1 48.7 0.1
H111 A:JL7401 3.2 58.5 0.1
H111 A:JL7401 3.2 58.5 0.1
C13 A:JL7401 3.3 42.2 0.1
C13 A:JL7401 3.3 42.2 0.1
H131 A:JL7401 3.5 50.6 0.1
H131 A:JL7401 3.5 50.6 0.1
OE1 A:GLU75 4.1 60.9 0.1
OE1 A:GLU75 4.1 60.9 0.1
HG2 A:GLU75 4.3 55.3 0.4
HG2 A:GLU75 4.3 55.3 0.4
C10 A:JL7401 4.3 52.3 0.1
C10 A:JL7401 4.3 52.3 0.1
HB3 A:GLU75 4.4 63.6 0.1
HB3 A:GLU75 4.4 63.6 0.1
HB2 A:GLU76 4.5 41.4 0.4
HB2 A:GLU76 4.5 41.4 0.4
C14 A:JL7401 4.6 42.9 0.1
C14 A:JL7401 4.6 42.9 0.1
HB2 A:GLU76 4.6 44.8 0.1
HB2 A:GLU76 4.6 44.8 0.1
HA A:GLU76 4.8 45.4 0.1
HA A:GLU76 4.8 45.4 0.1
HA A:GLU76 4.9 46.2 0.4
HA A:GLU76 4.9 46.2 0.4
CD A:GLU75 4.9 73.2 0.1
CD A:GLU75 4.9 73.2 0.1
CD A:GLU75 5.0 83.1 0.4
CD A:GLU75 5.0 83.1 0.4
OE1 A:GLU75 5.0 66.5 0.4
OE1 A:GLU75 5.0 66.5 0.4
HG3 A:GLU76 5.0 52.0 0.4
HG3 A:GLU76 5.0 52.0 0.4

Reference:

D.A.Keedy, Z.B.Hill, J.T.Biel, E.Kang, T.J.Rettenmaier, J.Brandao-Neto, N.M.Pearce, F.Von Delft, J.A.Wells, J.S.Fraser. An Expanded Allosteric Network in PTP1B By Multitemperature Crystallography, Fragment Screening, and Covalent Tethering. Elife V. 7 2018.
ISSN: ESSN 2050-084X
PubMed: 29877794
DOI: 10.7554/ELIFE.36307
Page generated: Thu Aug 1 13:07:37 2024

Last articles

Ca in 3AGN
Ca in 3ACH
Ca in 3ACI
Ca in 3AAV
Ca in 3ACG
Ca in 3ACF
Ca in 3AAU
Ca in 3AB9
Ca in 3A9Q
Ca in 3A68
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy