Chlorine in PDB 6ovc: HMCL1 Inhibitor Complex

The binding sites of Chlorine atom in the HMCL1 Inhibitor Complex (pdb code 6ovc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the HMCL1 Inhibitor Complex, PDB code: 6ovc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the HMCL1 Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HMCL1 Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:0.0 occ:1.00 CL20 A:N8J201 0.0 0.0 1.0 C19 A:N8J201 1.7 0.0 1.0 C21 A:N8J201 2.7 0.0 1.0 C18 A:N8J201 2.7 0.0 1.0 HD23 A:LEU66 2.8 0.0 1.0 H17 A:N8J201 2.8 0.0 1.0 H16 A:N8J201 2.8 0.0 1.0 HD22 A:LEU77 3.2 0.0 1.0 HB3 A:MET62 3.3 0.0 1.0 HD22 A:LEU66 3.4 0.0 1.0 CD2 A:LEU66 3.6 0.0 1.0 HD12 A:LEU77 3.8 0.0 1.0 HD12 A:LEU66 3.9 0.0 1.0 HG13 A:VAL80 3.9 0.0 1.0 C22 A:N8J201 4.0 0.0 1.0 C24 A:N8J201 4.0 0.0 1.0 HZ A:PHE101 4.0 0.0 1.0 HE1 A:MET62 4.1 0.0 1.0 HD23 A:LEU77 4.1 0.0 1.0 HE2 A:MET81 4.1 0.0 1.0 CD2 A:LEU77 4.1 0.0 1.0 HD21 A:LEU66 4.2 0.0 1.0 CB A:MET62 4.4 0.0 1.0 SD A:MET62 4.4 0.0 1.0 HD13 A:LEU66 4.5 0.0 1.0 CD1 A:LEU66 4.5 0.0 1.0 C23 A:N8J201 4.5 0.0 1.0 HG22 A:VAL80 4.6 0.0 1.0 CD1 A:LEU77 4.6 0.0 1.0 HD11 A:LEU77 4.6 0.0 1.0 HE1 A:PHE101 4.7 0.0 1.0 CZ A:PHE101 4.7 0.0 1.0 HG2 A:MET62 4.7 0.0 1.0 CG A:LEU66 4.7 0.0 1.0 HE1 A:MET81 4.7 0.0 1.0 CG A:MET62 4.7 0.0 1.0 CE A:MET62 4.8 0.0 1.0 HB2 A:MET62 4.8 0.0 1.0 H18 A:N8J201 4.8 0.0 1.0 HD21 A:LEU77 4.9 0.0 1.0 HB3 A:LEU77 4.9 0.0 1.0 CE A:MET81 4.9 0.0 1.0 O A:MET62 4.9 0.0 1.0 CG1 A:VAL80 4.9 0.0 1.0 CG A:LEU77 5.0 0.0 1.0 CE1 A:PHE101 5.0 0.0 1.0

Chlorine binding site 2 out of 2 in the HMCL1 Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of HMCL1 Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:0.0 occ:1.00 CL25 A:N8J201 0.0 0.0 1.0 C24 A:N8J201 1.7 0.0 1.0 H3 A:N8J201 2.7 0.0 1.0 C18 A:N8J201 2.7 0.0 1.0 C23 A:N8J201 2.8 0.0 1.0 H16 A:N8J201 2.8 0.0 1.0 H5 A:N8J201 2.8 0.0 1.0 C11 A:N8J201 3.1 0.0 1.0 C12 A:N8J201 3.3 0.0 1.0 HG22 A:VAL84 3.5 0.0 1.0 HG12 A:VAL80 3.8 0.0 1.0 HG23 A:VAL84 3.9 0.0 1.0 HG13 A:VAL80 3.9 0.0 1.0 C19 A:N8J201 4.0 0.0 1.0 HG11 A:VAL80 4.0 0.0 1.0 C22 A:N8J201 4.0 0.0 1.0 CG2 A:VAL84 4.1 0.0 1.0 H1 A:N8J201 4.1 0.0 1.0 CG1 A:VAL80 4.2 0.0 1.0 HG21 A:VAL84 4.3 0.0 1.0 N1 A:N8J201 4.3 0.0 1.0 H2 A:N8J201 4.4 0.0 1.0 C21 A:N8J201 4.5 0.0 1.0 O3 A:N8J201 4.5 0.0 1.0 H18 A:N8J201 4.9 0.0 1.0 C2 A:N8J201 4.9 0.0 1.0

S.Caenepeel, S.P.Brown, B.Belmontes, G.Moody, K.S.Keegan, D.Chui, D.A.Whittington, X.Huang, L.Poppe, A.C.Cheng, M.Cardozo, J.Houze, Y.Li, B.Lucas, N.A.Paras, X.Wang, J.P.Taygerly, M.Vimolratana, M.Zancanella, L.Zhu, E.Cajulis, T.Osgood, J.Sun, L.Damon, R.K.Egan, P.Greninger, J.D.Mcclanaghan, J.Gong, D.Moujalled, G.Pomilio, P.Beltran, C.H.Benes, A.W.Roberts, D.C.Huang, A.Wei, J.Canon, A.Coxon, P.E.Hughes. Amg 176, A Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov V. 8 1582 2018.
ISSN: ESSN 2159-8290
PubMed: 30254093
DOI: 10.1158/2159-8290.CD-18-0387