Fluorine in PDB 2c1p: Fab-Fragment of Enantioselective Antibody Complexed with Finrozole

The structure of Fab-Fragment of Enantioselective Antibody Complexed with Finrozole, PDB code: 2c1p was solved by T.Parkkinen, T.K.Nevanen, A.Koivula, J.Rouvinen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.815, 87.419, 141.684, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 28.5

The binding sites of Fluorine atom in the Fab-Fragment of Enantioselective Antibody Complexed with Finrozole (pdb code 2c1p). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Fab-Fragment of Enantioselective Antibody Complexed with Finrozole, PDB code: 2c1p:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Fab-Fragment of Enantioselective Antibody Complexed with Finrozole


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fab-Fragment of Enantioselective Antibody Complexed with Finrozole within 5.0Å range: probe atom residue distance (Å) B Occ B:F1215 b:31.3 occ:1.00 F7 B:FNZ1215 0.0 31.3 1.0 C7 B:FNZ1215 1.4 31.5 1.0 C6 B:FNZ1215 2.4 30.7 1.0 C8 B:FNZ1215 2.4 30.7 1.0 O B:HOH2057 3.2 27.4 1.0 CZ2 B:TRP103 3.3 21.9 1.0 CD2 A:LEU36 3.3 20.4 1.0 O B:HOH2058 3.6 30.5 1.0 C5 B:FNZ1215 3.7 30.5 1.0 C9 B:FNZ1215 3.7 31.2 1.0 OD1 B:ASP95 3.8 36.0 1.0 CZ A:PHE98 3.9 19.2 1.0 CE2 A:PHE98 3.9 18.5 1.0 NE1 B:TRP103 3.9 20.7 1.0 CE2 B:TRP103 4.0 19.8 1.0 CG B:ASP95 4.1 37.3 1.0 C4 B:FNZ1215 4.2 32.5 1.0 CD1 A:LEU36 4.2 21.2 1.0 CG A:LEU36 4.2 20.9 1.0 CH2 B:TRP103 4.3 18.7 1.0 CB B:ASP95 4.5 35.0 1.0 CG1 A:VAL89 4.5 23.1 1.0 OD2 B:ASP95 4.7 39.4 1.0

Fluorine binding site 2 out of 2 in the Fab-Fragment of Enantioselective Antibody Complexed with Finrozole


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Fab-Fragment of Enantioselective Antibody Complexed with Finrozole within 5.0Å range: probe atom residue distance (Å) B Occ H:F1214 b:37.4 occ:1.00 F7 H:FNZ1214 0.0 37.4 1.0 C7 H:FNZ1214 1.4 37.2 1.0 C8 H:FNZ1214 2.4 36.1 1.0 C6 H:FNZ1214 2.4 35.4 1.0 O H:HOH2044 3.0 37.9 1.0 CD2 L:LEU36 3.2 30.3 1.0 CZ2 H:TRP103 3.4 29.0 1.0 CE2 L:PHE98 3.6 21.0 1.0 CZ L:PHE98 3.6 19.8 1.0 C9 H:FNZ1214 3.6 35.3 1.0 C5 H:FNZ1214 3.6 34.5 1.0 O H:HOH2045 4.0 32.8 1.0 OD1 H:ASP95 4.1 35.5 1.0 CG1 L:VAL89 4.1 19.7 1.0 C4 H:FNZ1214 4.2 35.7 1.0 CG H:ASP95 4.2 35.9 1.0 CE2 H:TRP103 4.3 27.6 1.0 CG L:LEU36 4.3 24.3 1.0 CD1 L:LEU36 4.4 27.3 1.0 CH2 H:TRP103 4.4 27.5 1.0 NE1 H:TRP103 4.4 26.1 1.0 OD2 H:ASP95 4.5 37.8 1.0 CG2 L:VAL89 4.7 23.3 1.0 CB L:VAL89 4.7 19.9 1.0 CD2 L:PHE98 4.8 22.8 1.0 CE1 L:PHE98 4.8 22.6 1.0 CB H:ASP95 4.8 35.0 1.0

T.Parkkinen, T.K.Nevanen, A.Koivula, J.Rouvinen. Crystal Structures of An Enantioselective Fab-Fragment in Free and Complex Forms. J.Mol.Biol. V. 357 471 2006.
ISSN: ISSN 0022-2836
PubMed: 16427081
DOI: 10.1016/J.JMB.2005.12.045