Bromine in PDB 6ccx: uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc

The structure of uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc also contains other interesting chemical elements:

Magnesium	(Mg)	10 atoms
Chlorine	(Cl)	10 atoms

The binding sites of Bromine atom in the uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc (pdb code 6ccx). 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 uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc, PDB code: 6ccx:

Bromine binding site 1 out of 1 in the uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc within 5.0Å range: probe atom residue distance (Å) B Occ B:Br237 b:20.0 occ:1.00 BRA B:EWS237 0.0 20.0 1.0 CAR B:EWS237 1.9 20.0 1.0 C5 B:PCW221 2.6 10.0 1.0 C4 B:PCW221 2.8 10.0 1.0 CAQ B:EWS237 2.8 20.0 1.0 CAS B:EWS237 2.9 20.0 1.0 C6 B:PCW221 3.0 10.0 1.0 HAQ B:EWS237 3.0 20.0 1.0 HAS B:EWS237 3.0 20.0 1.0 N B:PCW221 3.0 10.0 1.0 C7 B:PCW221 3.1 10.0 1.0 HZ1 B:LYS5 3.3 10.0 1.0 HZ3 B:LYS5 4.0 10.0 1.0 NZ B:LYS5 4.1 10.0 1.0 CAV B:EWS237 4.1 20.0 1.0 CAT B:EWS237 4.2 20.0 1.0 CG B:ASP54 4.2 10.0 1.0 O4P B:PCW221 4.3 10.0 1.0 OE1 B:GLU3 4.3 10.0 1.0 OD2 B:ASP54 4.3 10.0 1.0 OD1 B:ASP54 4.4 10.0 1.0 C8 B:PCW221 4.5 10.0 1.0 CB B:ASP54 4.6 10.0 1.0 CAU B:EWS237 4.6 20.0 1.0 HZ2 B:LYS5 4.7 10.0 1.0 CD B:LYS5 4.7 10.0 1.0 C8 B:PCW208 4.7 10.0 1.0 CG B:LYS5 4.8 10.0 1.0

Z.Fang, C.B.Marshall, T.Nishikawa, A.D.Gossert, J.M.Jansen, W.Jahnke, M.Ikura. Inhibition of K-RAS4B By A Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site. Cell Chem Biol V. 25 1327 2018.
ISSN: ESSN 2451-9448
PubMed: 30122370
DOI: 10.1016/J.CHEMBIOL.2018.07.009