Bromine in PDB 1o5m: Structure of Fpt Bound to the Inhibitor SCH66336

The structure of Structure of Fpt Bound to the Inhibitor SCH66336, PDB code: 1o5m was solved by C.L.Strickland, P.C.Weber, A.K.Ganguly, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.30
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	171.110, 171.110, 69.310, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / n/a

The structure of Structure of Fpt Bound to the Inhibitor SCH66336 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Bromine atom in the Structure of Fpt Bound to the Inhibitor SCH66336 (pdb code 1o5m). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of Fpt Bound to the Inhibitor SCH66336, PDB code: 1o5m:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structure of Fpt Bound to the Inhibitor SCH66336


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Fpt Bound to the Inhibitor SCH66336 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br3001 b:27.0 occ:1.00 BR37 B:3363001 0.0 27.0 1.0 C29 B:3363001 1.9 27.2 1.0 C17 B:3363001 2.9 25.8 1.0 C30 B:3363001 2.9 27.1 1.0 NE2 A:HIS201 3.2 17.4 1.0 O A:LYS164 3.6 28.3 1.0 C A:LYS164 3.7 20.9 1.0 CD1 A:TYR166 3.7 24.5 1.0 CE1 A:TYR166 3.7 20.4 1.0 CE1 A:HIS201 3.8 14.9 1.0 N A:ASN165 3.9 20.9 1.0 CA A:ASN165 4.0 19.2 1.0 O A:HOH521 4.0 26.0 1.0 N32 B:3363001 4.1 22.8 1.0 C41 B:3363001 4.2 23.5 1.0 O B:HOH3387 4.2 29.0 1.0 O A:HOH472 4.2 19.0 1.0 N A:TYR166 4.3 16.4 1.0 CD2 A:HIS201 4.3 15.7 1.0 C A:ASN165 4.4 16.6 1.0 CA A:LYS164 4.4 19.5 1.0 CB A:LYS164 4.6 17.5 1.0 O A:HOH741 4.6 28.9 1.0 CG A:TYR166 4.6 21.6 1.0 O A:HOH744 4.6 38.7 1.0 C39 B:3363001 4.7 22.6 1.0 CZ A:TYR166 4.7 21.1 1.0 C4 B:FPP2001 4.9 19.0 1.0

Bromine binding site 2 out of 2 in the Structure of Fpt Bound to the Inhibitor SCH66336


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Fpt Bound to the Inhibitor SCH66336 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br3001 b:28.0 occ:1.00 BR38 B:3363001 0.0 28.0 1.0 C28 B:3363001 1.9 21.8 1.0 C35 B:3363001 2.8 21.7 1.0 C40 B:3363001 2.9 19.9 1.0 C33 B:3363001 3.2 22.0 1.0 OG B:SER99 3.4 26.8 1.0 O B:HOH3036 3.6 50.4 1.0 CH2 B:TRP106 3.9 22.1 1.0 CD1 B:TRP102 3.9 18.8 1.0 CD2 B:LEU96 3.9 16.9 1.0 CB B:SER99 4.0 19.9 1.0 CZ2 B:TRP106 4.0 22.7 1.0 NE1 B:TRP102 4.1 19.6 1.0 C4 B:3363001 4.2 19.0 1.0 C19 B:3363001 4.2 20.4 1.0 C42 B:3363001 4.2 20.9 1.0 O B:HOH3385 4.2 20.6 1.0 C6 B:3363001 4.2 21.9 1.0 C39 B:3363001 4.2 22.6 1.0 CG B:TRP102 4.4 19.4 1.0 O B:HOH3017 4.4 22.7 1.0 O B:HOH3391 4.4 33.5 1.0 N32 B:3363001 4.5 22.8 1.0 C13 B:3363001 4.6 18.9 1.0 CE2 B:TRP102 4.7 20.2 1.0 C20 B:3363001 4.7 18.9 1.0 CD2 B:TRP102 4.9 20.6 1.0 CB B:TRP102 4.9 16.6 1.0

C.L.Strickland, P.C.Weber, W.T.Windsor, Z.Wu, H.V.Le, M.M.Albanese, C.S.Alvarez, D.Cesarz, J.Del Rosario, J.Deskus, A.K.Mallams, F.G.Njoroge, J.J.Piwinski, S.Remiszewski, R.R.Rossman, A.G.Taveras, B.Vibulbhan, R.J.Doll, V.M.Girijavallabhan, A.K.Ganguly. Tricyclic Farnesyl Protein Transferase Inhibitors: Crystallographic and Calorimetric Studies of Structure-Activity Relationships J.Med.Chem. V. 42 2125 1999.
ISSN: ISSN 0022-2623
PubMed: 10377218
DOI: 10.1021/JM990030G