Bromine in PDB 4urv: The Crystal Structure of H-Ras and Sos in Complex with Ligands

The structure of The Crystal Structure of H-Ras and Sos in Complex with Ligands, PDB code: 4urv was solved by J.J.G.Winter, M.Anderson, K.Blades, C.Brassington, A.L.Breeze, C.Chresta, K.Embrey, G.Fairley, P.Faulder, M.R.V.Finlay, J.G.Kettle, T.Nowak, R.Overman, S.J.Patel, P.Perkins, L.Spadola, J.Tart, J.Tucker, G.Wrigley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.48 / 2.58
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	149.900, 149.900, 200.200, 90.00, 90.00, 90.00
R / Rfree (%)	19.29 / 23.18

The binding sites of Bromine atom in the The Crystal Structure of H-Ras and Sos in Complex with Ligands (pdb code 4urv). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the The Crystal Structure of H-Ras and Sos in Complex with Ligands, PDB code: 4urv:

Bromine binding site 1 out of 1 in the The Crystal Structure of H-Ras and Sos in Complex with Ligands


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Crystal Structure of H-Ras and Sos in Complex with Ligands within 5.0Å range: probe atom residue distance (Å) B Occ S:Br2047 b:73.4 occ:1.00 BR S:UMK2047 0.0 73.4 1.0 C8 S:UMK2047 1.9 75.3 1.0 C7 S:UMK2047 2.9 73.6 1.0 C9 S:UMK2047 2.9 76.4 1.0 ND2 S:ASN879 3.4 51.0 1.0 CD1 S:LEU901 3.8 45.2 1.0 CG S:LEU901 3.8 44.8 1.0 CB S:MET878 3.8 37.2 1.0 CB S:HIS905 3.9 42.1 1.0 CG S:ASN879 3.9 61.0 1.0 CD2 S:LEU901 4.1 46.7 1.0 C6 S:UMK2047 4.1 72.1 1.0 C10 S:UMK2047 4.1 75.2 1.0 ND1 S:HIS905 4.2 48.2 1.0 CG S:HIS905 4.2 46.3 1.0 OD1 S:ASN879 4.3 55.3 1.0 CG1 S:VAL875 4.3 34.4 1.0 O S:VAL875 4.4 36.5 1.0 O S:LEU901 4.5 43.6 1.0 O2 S:FMT2046 4.5 75.8 1.0 C S:MET878 4.6 40.6 1.0 N S:ASN879 4.7 37.8 1.0 C5 S:UMK2047 4.7 73.5 1.0 CG S:MET878 4.8 40.2 1.0 CA S:MET878 4.9 35.1 1.0 O S:MET878 4.9 42.0 1.0 CB S:ASN879 4.9 40.9 1.0 CA S:HIS905 4.9 40.9 1.0 CA S:VAL875 4.9 31.8 1.0

J.Winter, M.Anderson, K.Blades, C.Chresta, K.J.Embrey, G.Fairley, P.Faulder, M.R.V.Finlay, J.G.Kettle, T.Nowak, R.Overman, S.J.Patel, P.Perkins, L.Spadola, J.Tart, J.A.Tucker, G.Wrigley. Small Molecule Binding Sites on the Ras:Sos Complex Can Be Exploited For Inhibition of Ras Activation. J.Med.Chem. 2015.
ISSN: ESSN 1520-4804
PubMed: 25695162
DOI: 10.1021/JM501660T