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Fluorine in PDB 5qhq: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A

Protein crystallography data

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A, PDB code: 5qhq was solved by D.M.Pinkas, J.C.Bufton, A.E.Fox, R.Talon, T.Krojer, A.Douangamath, P.Collins, R.Zhang, F.Von Delft, C.Bountra, C.H.Arrowsmith, A.Edwards, A.N.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.48 / 1.96
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 50.484, 50.484, 154.218, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 25.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A (pdb code 5qhq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A, PDB code: 5qhq:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5qhq

Go back to Fluorine Binding Sites List in 5qhq
Fluorine binding site 1 out of 2 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A


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 of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F203

b:56.3
occ:0.52
F1 A:GQP203 0.0 56.3 0.5
C12 A:GQP203 1.4 50.4 0.5
C11 A:GQP203 2.3 48.5 0.5
C13 A:GQP203 2.4 49.8 0.5
NH2 A:ARG160 3.4 55.4 1.0
CG A:ARG160 3.4 32.5 1.0
C10 A:GQP203 3.6 51.2 0.5
C14 A:GQP203 3.6 48.5 0.5
CZ A:ARG160 3.7 50.9 1.0
NE A:ARG160 4.0 43.2 1.0
C9 A:GQP203 4.1 46.8 0.5
CD A:ARG160 4.1 37.1 1.0
NH1 A:ARG160 4.4 56.0 1.0
CB A:ARG160 4.5 28.2 1.0
CD2 A:PHE159 4.5 29.3 1.0
CE2 A:PHE159 4.7 28.4 1.0
CA A:ARG160 4.8 26.4 1.0

Fluorine binding site 2 out of 2 in 5qhq

Go back to Fluorine Binding Sites List in 5qhq
Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A


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 of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F204

b:48.3
occ:0.68
F1 A:GQP204 0.0 48.3 0.7
C12 A:GQP204 1.4 41.4 0.7
C13 A:GQP204 2.3 36.9 0.7
C11 A:GQP204 2.3 45.5 0.7
CG2 A:THR20 3.1 30.0 1.0
CD A:PRO14 3.6 26.6 1.0
C14 A:GQP204 3.6 37.5 0.7
C10 A:GQP204 3.6 42.1 0.7
CE1 A:HIS12 3.7 30.5 1.0
CG A:PRO14 3.9 30.8 1.0
C9 A:GQP204 4.1 38.6 0.7
ND1 A:HIS12 4.3 33.4 1.0
CB A:THR20 4.4 28.2 1.0
NE2 A:HIS12 4.6 26.0 1.0
N A:PRO14 5.0 26.3 1.0
O A:HOH317 5.0 27.5 1.0

Reference:

D.M.Pinkas, J.C.Bufton, A.E.Fox, R.Talon, T.Krojer, A.Douangamath, P.Collins, R.Zhang, F.Von Delft, C.Bountra, C.H.Arrowsmith, A.Edwards, A.N.Bullock. Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) To Be Published.
Page generated: Sun Dec 13 12:31:54 2020

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