2024-07-27_00000231|ligand|9FQI

E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7); X-ray diffraction 1.95Å
Protein #1 394 residues (97% resolved)

HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD

HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD
Non polymer #2 A1IEV

InChI=1S/C26H31F3N5O2/c1-17-5-4-10-32(14-17)15-18-11-21(26(27,28)29)23-31-34(24(36)33(23)16-18)20-7-3-6-19(12-20)25(2)8-9-30-22(35)13-25/h3,6-7,11-12,16-17,31H,4-5,8-10,13-15H2,1-2H3,(H,30,35)/t17-,25+/m0/s1

C[C@H]1CCCN(C1)CC2=C[N]3=C(C(=C2)C(F)(F)F)NN(C3=O)c4cccc(c4)[C@@]5(CCNC(=O)C5)C
Non polymer #3 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference