Fluorine in PDB 8tlr: Crystal Structure of Human Hras G12C Covalently Bound to Amg 510

The structure of Crystal Structure of Human Hras G12C Covalently Bound to Amg 510, PDB code: 8tlr was solved by J.Morstein, K.Z.Guiley, K.M.Shokat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.97 / 1.70
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	92.449, 92.449, 119.711, 90, 90, 120
R / Rfree (%)	18.4 / 21

The structure of Crystal Structure of Human Hras 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 Hras G12C Covalently Bound to Amg 510 (pdb code 8tlr). 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 Hras G12C Covalently Bound to Amg 510, PDB code: 8tlr:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Hras 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 Hras G12C Covalently Bound to Amg 510 within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:20.3 occ:1.00 F1 A:MOV202 0.0 20.3 1.0 C4 A:MOV202 1.4 19.4 1.0 C5 A:MOV202 2.4 21.6 1.0 C3 A:MOV202 2.4 20.1 1.0 F2 A:MOV202 2.9 21.8 1.0 C6 A:MOV202 2.9 22.4 1.0 C30 A:MOV202 3.1 21.7 1.0 CE A:MET72 3.4 21.5 1.0 N1 A:MOV202 3.6 18.2 1.0 O A:HOH356 3.6 14.6 1.0 C1 A:MOV202 3.7 17.9 1.0 CG2 A:THR58 3.7 13.2 1.0 CB A:THR58 3.8 14.3 1.0 C26 A:MOV202 3.9 24.6 1.0 NH1 A:ARG68 4.0 32.5 1.0 OG1 A:THR58 4.0 12.3 1.0 CZ A:ARG68 4.0 34.0 1.0 NE A:ARG68 4.0 35.1 1.0 CD A:ARG68 4.1 29.5 1.0 CG1 A:VAL9 4.1 11.7 1.0 C2 A:MOV202 4.1 19.0 1.0 C29 A:MOV202 4.2 20.5 1.0 O3 A:MOV202 4.5 24.4 1.0 CB A:VAL9 4.6 10.1 1.0 NH2 A:ARG68 4.6 31.5 1.0 C17 A:MOV202 4.8 26.3 1.0 C27 A:MOV202 4.9 24.0 1.0 CE1 A:TYR96 4.9 14.1 1.0 CG A:ARG68 4.9 32.4 1.0 C7 A:MOV202 4.9 19.5 1.0 SD A:MET72 5.0 27.1 1.0 C28 A:MOV202 5.0 22.7 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Hras 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 Hras G12C Covalently Bound to Amg 510 within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:21.8 occ:1.00 F2 A:MOV202 0.0 21.8 1.0 C30 A:MOV202 1.4 21.7 1.0 C29 A:MOV202 2.4 20.5 1.0 C6 A:MOV202 2.4 22.4 1.0 C3 A:MOV202 2.8 20.1 1.0 F1 A:MOV202 2.9 20.3 1.0 C4 A:MOV202 3.0 19.4 1.0 CG1 A:VAL9 3.3 11.7 1.0 CD1 A:TYR96 3.4 12.9 1.0 CB A:VAL9 3.5 10.1 1.0 C28 A:MOV202 3.6 22.7 1.0 C26 A:MOV202 3.6 24.6 1.0 N1 A:MOV202 3.8 18.2 1.0 CE1 A:TYR96 4.0 14.1 1.0 C5 A:MOV202 4.1 21.6 1.0 CG2 A:VAL9 4.1 10.6 1.0 C27 A:MOV202 4.1 24.0 1.0 CE A:MET72 4.2 21.5 1.0 O A:HOH356 4.4 14.6 1.0 CG A:TYR96 4.5 10.8 1.0 C2 A:MOV202 4.7 19.0 1.0 CB A:TYR96 4.7 9.0 1.0 O A:TYR96 4.7 11.9 1.0 CB A:GLN99 4.8 18.6 1.0 O3 A:MOV202 4.8 24.4 1.0 CG1 A:ILE100 4.9 11.2 1.0 C1 A:MOV202 4.9 17.9 1.0 CA A:VAL9 4.9 8.5 1.0 CA A:TYR96 4.9 10.2 1.0 SD A:MET72 5.0 27.1 1.0

J.Morstein, Y.Yang, M.Fernando, L.Zhu, V.Bowcut, M.L.Jenkins, J.T.Evans, K.Z.Guiley, D.M.Peacock, J.E.Burke, F.C.Lightstone, K.M.Shokat. Targeting Ras-, Rho-, and Rab-Family Gtpases Via A Conserved Cryptic Pocket To Be Published.