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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

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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

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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

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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: Sun Dec 13 12:31:45 2020

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