Fluorine in PDB 6oim: Crystal Structure of Human Kras G12C Covalently Bound to Amg 510

The structure of Crystal Structure of Human Kras G12C Covalently Bound to Amg 510, PDB code: 6oim was solved by C.Mohr, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.868, 58.417, 65.884, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 21.5

The structure of Crystal Structure of Human Kras G12C Covalently Bound to Amg 510 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Human Kras G12C Covalently Bound to Amg 510 (pdb code 6oim). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Kras G12C Covalently Bound to Amg 510, PDB code: 6oim:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Kras G12C Covalently Bound to Amg 510


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Kras G12C Covalently Bound to Amg 510 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:26.5 occ:1.00 F1 A:MOV303 0.0 26.5 1.0 C4 A:MOV303 1.3 25.7 1.0 C3 A:MOV303 2.4 26.0 1.0 C5 A:MOV303 2.4 25.8 1.0 F2 A:MOV303 2.8 26.3 1.0 C6 A:MOV303 2.8 26.8 1.0 C30 A:MOV303 3.0 26.8 1.0 O A:HOH455 3.4 26.1 1.0 N1 A:MOV303 3.6 25.5 1.0 C1 A:MOV303 3.7 25.4 1.0 O A:HOH457 3.8 19.7 1.0 NH1 A:ARG68 3.8 27.2 1.0 C26 A:MOV303 3.9 27.9 1.0 CD A:ARG68 3.9 24.7 1.0 CG2 A:THR58 3.9 17.4 1.0 CB A:THR58 4.0 17.4 1.0 C2 A:MOV303 4.1 25.8 1.0 C29 A:MOV303 4.1 27.4 1.0 CZ A:ARG68 4.1 27.3 1.0 NE A:ARG68 4.1 25.8 1.0 OG1 A:THR58 4.3 16.6 1.0 SD A:MET72 4.3 30.0 1.0 CG1 A:VAL9 4.4 18.2 1.0 CE A:MET72 4.4 30.2 1.0 O3 A:MOV303 4.5 29.5 1.0 CE1 A:TYR96 4.6 22.9 1.0 C17 A:MOV303 4.6 25.8 1.0 C27 A:MOV303 4.8 27.9 1.0 C7 A:MOV303 4.9 25.8 1.0 C28 A:MOV303 4.9 27.9 1.0 CG A:ARG68 5.0 23.9 1.0 CB A:VAL9 5.0 18.2 1.0 NH2 A:ARG68 5.0 28.6 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Kras G12C Covalently Bound to Amg 510


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Kras G12C Covalently Bound to Amg 510 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:26.3 occ:1.00 F2 A:MOV303 0.0 26.3 1.0 C30 A:MOV303 1.3 26.8 1.0 C29 A:MOV303 2.4 27.4 1.0 C6 A:MOV303 2.4 26.8 1.0 F1 A:MOV303 2.8 26.5 1.0 C3 A:MOV303 2.8 26.0 1.0 C4 A:MOV303 3.0 25.7 1.0 CG1 A:VAL9 3.4 18.2 1.0 CD1 A:TYR96 3.5 22.8 1.0 C28 A:MOV303 3.6 27.9 1.0 C26 A:MOV303 3.7 27.9 1.0 N1 A:MOV303 3.8 25.5 1.0 CE1 A:TYR96 3.8 22.9 1.0 CB A:VAL9 3.8 18.2 1.0 C5 A:MOV303 4.1 25.8 1.0 C27 A:MOV303 4.1 27.9 1.0 SD A:MET72 4.2 30.0 1.0 CG2 A:VAL9 4.5 18.2 1.0 O A:HOH457 4.5 19.7 1.0 CG A:TYR96 4.6 23.0 1.0 CE A:MET72 4.7 30.2 1.0 CG1 A:ILE100 4.7 29.6 1.0 C2 A:MOV303 4.7 25.8 1.0 CB A:GLN99 4.7 31.9 1.0 O3 A:MOV303 4.8 29.5 1.0 O A:TYR96 4.9 24.8 1.0 C1 A:MOV303 4.9 25.4 1.0 CB A:TYR96 5.0 23.6 1.0

J.Canon, K.Rex, A.Y.Saiki, C.Mohr, K.Cooke, D.Bagal, K.Gaida, T.Holt, C.G.Knutson, N.Koppada, B.A.Lanman, J.Werner, A.S.Rapaport, T.San Miguel, R.Ortiz, T.Osgood, J.R.Sun, X.Zhu, J.D.Mccarter, L.P.Volak, B.E.Houk, M.G.Fakih, B.H.O'neil, T.J.Price, G.S.Falchook, J.Desai, J.Kuo, R.Govindan, D.S.Hong, W.Ouyang, H.Henary, T.Arvedson, V.J.Cee, J.R.Lipford. The Clinical Kras(G12C) Inhibitor Amg 510 Drives Anti-Tumour Immunity. Nature V. 575 217 2019.
ISSN: ESSN 1476-4687
PubMed: 31666701
DOI: 10.1038/S41586-019-1694-1