2026-09-19_00000024|ligand|11PA

Crystal Structure of M. tuberculosis ClpP1P2 bound to ADEP AB; X-ray diffraction 2.75Å
Protein #1 215 residues (95% resolved)

MRYILPSFIEHSSFGVKESNPYNKLFEERIIFLGVQVDDASANDIMAQLLVLESLDPDRDITMYINSPGGGFTSLMAIYDTMQYVRADIQTVCLGQAASAAAVLLAAGTPGKRMALPNARVLIHQPSLSGVIQGQFSDLEIQAAEIERMRTLMETTLARHTGKDAGVIRKDTDRDKILTAEEAKDYGIIDTVLEYRKLSAQTAAAALEHHHHHHA

MRYILPSFIEHSSFGVKESNPYNKLFEERIIFLGVQVDDASANDIMAQLLVLESLDPDRDITMYINSPGGGFTSLMAIYDTMQYVRADIQTVCLGQAASAAAVLLAAGTPGKRMALPNARVLIHQPSLSGVIQGQFSDLEIQAAEIERMRTLMETTLARHTGKDAGVIRKDTDRDKILTAEEAKDYGIIDTVLEYRKLSAQTAAAALEHHHHHHA
Protein #2 194 residues (93% resolved)

MRSNSQGLSLTDSVYERLLSERIIFLGSEVNDEIANRLCAQILLLAAEDASKDISLYINSPGGSISAGMAIYDTMVLAPCDIATYAMGMAASMGEFLLAAGTKGKRYALPHARILMHQPLGGVTGSAADIAIQAEQFAVIKKEMFRLNAEFTGQPIERIEADSDRDRWFTAAEALEYGFVDHIITRAHVNGEAQ

MRSNSQGLSLTDSVYERLLSERIIFLGSEVNDEIANRLCAQILLLAAEDASKDISLYINSPGGSISAGMAIYDTMVLAPCDIATYAMGMAASMGEFLLAAGTKGKRYALPHARILMHQPLGGVTGSAADIAIQAEQFAVIKKEMFRLNAEFTGQPIERIEADSDRDRWFTAAEALEYGFVDHIITRAHVNGEAQ
Non polymer #3 A1C97

InChI=1S/C40H53F3N6O8/c1-5-22(2)10-8-13-33(50)45-29(18-25-16-26(41)19-27(42)17-25)35(51)46-34-24(4)57-40(56)31-12-9-15-48(31)37(53)23(3)44-36(52)30-11-6-7-14-47(30)38(54)32-20-28(43)21-49(32)39(34)55/h8,13,16-17,19,22-24,28-32,34H,5-7,9-12,14-15,18,20-21H2,1-4H3,(H,44,52)(H,45,50)(H,46,51)/b13-8+/t22-,23-,24-,28+,29-,30-,31-,32-,34-/m0/s1

CC[C@H](C)C/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2[C@@H](OC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5C[C@H](CN5C2=O)F)C)C
Non polymer #4 BEZ

InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

c1ccc(cc1)C(=O)O
Non polymer #5 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #6 K

InChI=1S/K/q+1

[K+]
Non polymer #7 LEU

InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1

CC(C)C[C@@H](C(=O)O)N
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Reference