eF-site ID 6ne5-ABCD PDB Code 6ne5 Chain A, B, C, D click to enlarge Title Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer Classification APOPTOSIS Compound Induced myeloid leukemia cell differentiation protein Mcl-1 Source (MCL1_HUMAN) Sequence A:  DELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALE TLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMI HVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLA ESITDVLVRTKRDWLVKQRGWDGFVEFFHVE B:  DELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALE TLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMI HVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLA ESITDVLVRTKRDWLVKQRGWDGFVEFFHVE C:  DELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALE TLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMI HVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLA ESITDVLVRTKRDWLVKQRGWDGFVEFFHV D:  DELYRQSLEIISRYLREQATGAKDTKPMSGATSRKALETL RRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHV FSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAES ITDVLVRTKRDWLVKQRGWDGFVEFFHV Description Functional site 1) chain A residue 224 type sequence H description binding site for residue KJP A 400 source : AC1 2) chain A residue 227 type sequence A description binding site for residue KJP A 400 source : AC1 3) chain A residue 228 type sequence F description binding site for residue KJP A 400 source : AC1 4) chain A residue 231 type sequence M description binding site for residue KJP A 400 source : AC1 5) chain A residue 249 type sequence V description binding site for residue KJP A 400 source : AC1 6) chain A residue 250 type sequence M description binding site for residue KJP A 400 source : AC1 7) chain A residue 253 type sequence V description binding site for residue KJP A 400 source : AC1 8) chain A residue 254 type sequence F description binding site for residue KJP A 400 source : AC1 9) chain A residue 256 type sequence D description binding site for residue KJP A 400 source : AC1 10) chain A residue 258 type sequence V description binding site for residue KJP A 400 source : AC1 11) chain A residue 260 type sequence N description binding site for residue KJP A 400 source : AC1 12) chain A residue 263 type sequence R description binding site for residue KJP A 400 source : AC1 13) chain A residue 267 type sequence L description binding site for residue KJP A 400 source : AC1 14) chain A residue 270 type sequence F description binding site for residue KJP A 400 source : AC1 15) chain A residue 271 type sequence G description binding site for residue KJP A 400 source : AC1 16) chain A residue 294 type sequence I description binding site for residue KJP A 400 source : AC1 17) chain C residue 320 type sequence H description binding site for residue KJP A 400 source : AC1 18) chain B residue 227 type sequence A description binding site for residue KJP B 400 source : AC2 19) chain B residue 228 type sequence F description binding site for residue KJP B 400 source : AC2 20) chain B residue 231 type sequence M description binding site for residue KJP B 400 source : AC2 21) chain B residue 246 type sequence L description binding site for residue KJP B 400 source : AC2 22) chain B residue 250 type sequence M description binding site for residue KJP B 400 source : AC2 23) chain B residue 253 type sequence V description binding site for residue KJP B 400 source : AC2 24) chain B residue 254 type sequence F description binding site for residue KJP B 400 source : AC2 25) chain B residue 258 type sequence V description binding site for residue KJP B 400 source : AC2 26) chain B residue 260 type sequence N description binding site for residue KJP B 400 source : AC2 27) chain B residue 262 type sequence G description binding site for residue KJP B 400 source : AC2 28) chain B residue 263 type sequence R description binding site for residue KJP B 400 source : AC2 29) chain B residue 267 type sequence L description binding site for residue KJP B 400 source : AC2 30) chain B residue 270 type sequence F description binding site for residue KJP B 400 source : AC2 31) chain B residue 271 type sequence G description binding site for residue KJP B 400 source : AC2 32) chain B residue 294 type sequence I description binding site for residue KJP B 400 source : AC2 33) chain C residue 224 type sequence H description binding site for residue KJP C 400 source : AC3 34) chain C residue 227 type sequence A description binding site for residue KJP C 400 source : AC3 35) chain C residue 228 type sequence F description binding site for residue KJP C 400 source : AC3 36) chain C residue 231 type sequence M description binding site for residue KJP C 400 source : AC3 37) chain C residue 250 type sequence M description binding site for residue KJP C 400 source : AC3 38) chain C residue 253 type sequence V description binding site for residue KJP C 400 source : AC3 39) chain C residue 254 type sequence F description binding site for residue KJP C 400 source : AC3 40) chain C residue 256 type sequence D description binding site for residue KJP C 400 source : AC3 41) chain C residue 258 type sequence V description binding site for residue KJP C 400 source : AC3 42) chain C residue 260 type sequence N description binding site for residue KJP C 400 source : AC3 43) chain C residue 262 type sequence G description binding site for residue KJP C 400 source : AC3 44) chain C residue 263 type sequence R description binding site for residue KJP C 400 source : AC3 45) chain C residue 267 type sequence L description binding site for residue KJP C 400 source : AC3 46) chain C residue 270 type sequence F description binding site for residue KJP C 400 source : AC3 47) chain C residue 271 type sequence G description binding site for residue KJP C 400 source : AC3 48) chain C residue 294 type sequence I description binding site for residue KJP C 400 source : AC3 49) chain D residue 227 type sequence A description binding site for residue KJP D 400 source : AC4 50) chain D residue 228 type sequence F description binding site for residue KJP D 400 source : AC4 51) chain D residue 231 type sequence M description binding site for residue KJP D 400 source : AC4 52) chain D residue 246 type sequence L description binding site for residue KJP D 400 source : AC4 53) chain D residue 250 type sequence M description binding site for residue KJP D 400 source : AC4 54) chain D residue 253 type sequence V description binding site for residue KJP D 400 source : AC4 55) chain D residue 254 type sequence F description binding site for residue KJP D 400 source : AC4 56) chain D residue 258 type sequence V description binding site for residue KJP D 400 source : AC4 57) chain D residue 260 type sequence N description binding site for residue KJP D 400 source : AC4 58) chain D residue 262 type sequence G description binding site for residue KJP D 400 source : AC4 59) chain D residue 263 type sequence R description binding site for residue KJP D 400 source : AC4 60) chain D residue 267 type sequence L description binding site for residue KJP D 400 source : AC4 61) chain D residue 270 type sequence F description binding site for residue KJP D 400 source : AC4 62) chain D residue 271 type sequence G description binding site for residue KJP D 400 source : AC4 63) chain D residue 294 type sequence I description binding site for residue KJP D 400 source : AC4 64) chain A residue 194 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) source Swiss-Prot : SWS_FT_FI1 65) chain A residue 197 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) source Swiss-Prot : SWS_FT_FI1 66) chain B residue 194 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) source Swiss-Prot : SWS_FT_FI1 67) chain B residue 197 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) source Swiss-Prot : SWS_FT_FI1 68) chain C residue 194 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) source Swiss-Prot : SWS_FT_FI1 69) chain C residue 197 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) source Swiss-Prot : SWS_FT_FI1 70) chain D residue 194 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) source Swiss-Prot : SWS_FT_FI1 71) chain D residue 197 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) source Swiss-Prot : SWS_FT_FI1 72) chain A residue 253-272 type prosite sequence VFSDGVTNWGRIVTLISFGA description BH1 Apoptosis regulator, Bcl-2 family BH1 motif signature. VFsDGvtNWGRIVTLIsFGA source prosite : PS01080 73) chain A residue 305-316 type prosite sequence WLVKQRGWDGFV description BH2 Apoptosis regulator, Bcl-2 family BH2 motif signature. WLvkqRGWDgFV source prosite : PS01258 74) chain A residue 209-223 type prosite sequence ALETLRRVGDGVQRN description BH3 Apoptosis regulator, Bcl-2 family BH3 motif signature. AletLRrVGDGVQRN source prosite : PS01259

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