Chlorine 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
Bromine	(Br)	10 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc, PDB code: 6ccx:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl237 b:20.0 occ:1.00 CLA B:EWS237 0.0 20.0 1.0 CAN B:EWS237 1.7 20.0 1.0 CAM B:EWS237 2.7 20.0 1.0 CAO B:EWS237 2.7 20.0 1.0 O8 B:17F226 2.9 10.0 1.0 HAO B:EWS237 2.9 20.0 1.0 HAP B:EWS237 2.9 20.0 1.0 C7 B:17F226 3.2 10.0 1.0 C6 B:17F226 3.2 10.0 1.0 O7 B:17F226 3.4 10.0 1.0 C34 B:PCW208 3.7 10.0 1.0 CAL B:EWS237 4.0 20.0 1.0 CAK B:EWS237 4.0 20.0 1.0 C32 B:PCW208 4.0 10.0 1.0 C5 B:17F226 4.3 10.0 1.0 C8 B:17F226 4.3 10.0 1.0 C33 B:PCW208 4.5 10.0 1.0 CAJ B:EWS237 4.5 20.0 1.0 C4 B:17F226 4.8 10.0 1.0 HAM B:EWS237 4.9 20.0 1.0 HAN B:EWS237 4.9 20.0 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