Fluorine in PDB 7kpb: Asymmetric Htnf-Alpha

The structure of Asymmetric Htnf-Alpha, PDB code: 7kpb was solved by D.Fox Iii, D.G.Conrady, M.Lowe, T.Ceska, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.13 / 3.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.51, 99.51, 311.35, 90, 90, 90
R / Rfree (%)	22.3 / 25.6

The binding sites of Fluorine atom in the Asymmetric Htnf-Alpha (pdb code 7kpb). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Asymmetric Htnf-Alpha, PDB code: 7kpb:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Asymmetric Htnf-Alpha


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Asymmetric Htnf-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:41.7 occ:1.00 F C:D84201 0.0 41.7 1.0 C C:D84201 1.4 38.7 1.0 F1 C:D84201 2.2 43.0 1.0 O C:D84201 2.3 37.1 1.0 C2 C:D84201 3.0 32.5 1.0 C1 C:D84201 3.0 42.0 1.0 CD1 B:TYR59 3.0 45.2 1.0 CG B:TYR59 3.4 43.5 1.0 CB B:TYR59 3.6 36.9 1.0 CD1 B:ILE155 3.7 43.5 1.0 CE1 B:TYR59 3.7 45.9 1.0 CB B:LEU57 3.8 35.7 1.0 CD1 B:LEU57 4.0 38.1 1.0 OH B:TYR119 4.2 35.2 1.0 C3 C:D84201 4.3 28.3 1.0 C6 C:D84201 4.3 41.1 1.0 CG1 B:ILE155 4.4 46.4 1.0 CD2 B:TYR59 4.4 47.0 1.0 CG B:LEU57 4.5 39.7 1.0 CD1 C:LEU57 4.6 36.0 1.0 CZ B:TYR59 4.6 45.4 1.0 C B:LEU57 4.7 36.5 1.0 N B:TYR59 4.8 40.0 1.0 CA B:TYR59 4.8 42.1 1.0 C B:ILE58 4.9 45.8 1.0 CA B:LEU57 4.9 39.4 1.0 N B:ILE58 4.9 37.2 1.0 CE2 B:TYR59 4.9 45.1 1.0 C7 C:D84201 5.0 30.6 1.0

Fluorine binding site 2 out of 2 in the Asymmetric Htnf-Alpha


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Asymmetric Htnf-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:43.0 occ:1.00 F1 C:D84201 0.0 43.0 1.0 C C:D84201 1.4 38.7 1.0 F C:D84201 2.2 41.7 1.0 O C:D84201 2.3 37.1 1.0 CD1 C:LEU57 3.1 36.0 1.0 N C:GLY122 3.3 35.9 1.0 C C:GLY121 3.4 38.3 1.0 CA C:GLY122 3.5 37.7 1.0 C1 C:D84201 3.5 42.0 1.0 CD1 B:ILE155 3.6 43.5 1.0 OH B:TYR119 3.6 35.2 1.0 CD1 B:TYR59 3.6 45.2 1.0 O C:GLY121 3.7 40.3 1.0 CE1 B:TYR59 3.8 45.9 1.0 CG B:TYR59 3.8 43.5 1.0 CA C:GLY121 4.0 32.4 1.0 C C:GLY122 4.0 36.6 1.0 CZ B:TYR59 4.1 45.4 1.0 CD2 B:TYR59 4.1 47.0 1.0 CE2 B:TYR59 4.2 45.1 1.0 C2 C:D84201 4.3 32.5 1.0 O C:GLY122 4.4 38.8 1.0 C7 C:D84201 4.4 30.6 1.0 C6 C:D84201 4.4 41.1 1.0 CB B:TYR59 4.5 36.9 1.0 CG C:LEU57 4.6 36.8 1.0 N C:VAL123 4.6 35.5 1.0 CG1 B:ILE155 4.7 46.4 1.0 OH B:TYR59 4.8 48.2 1.0 O C:ILE58 4.9 37.4 1.0 CD2 C:LEU57 4.9 39.3 1.0 CZ B:TYR119 5.0 34.8 1.0

D.Lightwood, R.Munro, J.Porter, D.Mcmillan, B.Carrington, A.Scott-Tucker, E.Hickford, A.Schmidt, D.Fox Iii, A.Maloney, T.Ceska, T.Bourne, J.O'connell, A.Lawson. A Conformation-Selective Monoclonal Antibody Against A Small Molecule-Stabilised Signalling-Deficient Form of Tnf Nat Commun 2020.
ISSN: ESSN 2041-1723