Fluorine in PDB 7kpa: Mtnf-Alpha HTNFR1 Complex

The structure of Mtnf-Alpha HTNFR1 Complex, PDB code: 7kpa was solved by D.Fox Iii, C.M.Lukacs, T.Ceska, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.03 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.13, 82.13, 93.04, 90, 90, 90
R / Rfree (%)	21.6 / 26.2

The binding sites of Fluorine atom in the Mtnf-Alpha HTNFR1 Complex (pdb code 7kpa). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Mtnf-Alpha HTNFR1 Complex, PDB code: 7kpa:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Mtnf-Alpha HTNFR1 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Mtnf-Alpha HTNFR1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:21.4 occ:1.00 F C:D84201 0.0 21.4 1.0 C C:D84201 1.4 22.1 1.0 F1 C:D84201 2.2 21.7 1.0 O C:D84201 2.3 21.7 1.0 CD1 B:TYR59 3.0 20.9 1.0 C1 C:D84201 3.1 21.0 1.0 C2 C:D84201 3.3 21.5 1.0 CD1 B:ILE155 3.3 22.4 1.0 CE1 B:TYR59 3.6 21.8 1.0 CG B:TYR59 3.6 22.7 1.0 CD1 B:LEU57 3.7 22.4 1.0 CB B:LEU57 3.8 22.4 1.0 CB B:TYR59 4.0 20.7 1.0 CD1 C:LEU57 4.1 23.5 1.0 OH B:TYR119 4.4 21.2 1.0 CG B:LEU57 4.4 22.8 1.0 C6 C:D84201 4.4 21.8 1.0 CG1 B:ILE155 4.5 22.7 1.0 CZ B:TYR59 4.6 22.1 1.0 CD2 B:TYR59 4.6 20.9 1.0 C3 C:D84201 4.7 20.8 1.0 CD2 C:LEU57 4.9 23.1 1.0 C7 C:D84201 4.9 21.9 1.0 CE2 B:TYR59 5.0 21.9 1.0

Fluorine binding site 2 out of 2 in the Mtnf-Alpha HTNFR1 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Mtnf-Alpha HTNFR1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:21.7 occ:1.00 F1 C:D84201 0.0 21.7 1.0 C C:D84201 1.4 22.1 1.0 F C:D84201 2.2 21.4 1.0 O C:D84201 2.3 21.7 1.0 N C:GLY122 2.9 22.4 1.0 C C:GLY121 2.9 22.1 1.0 CD1 C:LEU57 3.2 23.5 1.0 O C:GLY121 3.3 22.0 1.0 OH B:TYR119 3.3 21.2 1.0 CA C:GLY122 3.3 22.9 1.0 CA C:GLY121 3.5 22.3 1.0 C1 C:D84201 3.5 21.0 1.0 CD1 B:TYR59 3.7 20.9 1.0 CG B:TYR59 3.8 22.7 1.0 CE1 B:TYR59 3.9 21.8 1.0 C C:GLY122 4.1 23.3 1.0 CD2 B:TYR59 4.1 20.9 1.0 C7 C:D84201 4.1 21.9 1.0 CD1 B:ILE155 4.1 22.4 1.0 CZ B:TYR59 4.2 22.1 1.0 CE2 B:TYR59 4.3 21.9 1.0 C6 C:D84201 4.3 21.8 1.0 C2 C:D84201 4.4 21.5 1.0 O C:GLY122 4.5 23.8 1.0 CB B:TYR59 4.5 20.7 1.0 O C:ILE58 4.6 24.2 1.0 CG C:LEU57 4.7 23.8 1.0 CZ B:TYR119 4.7 21.6 1.0 N C:GLY121 4.8 21.9 1.0 N C:VAL123 4.9 23.3 1.0 OH B:TYR59 4.9 22.0 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