2025-02-08_00000312|ligand|9MDK

Crystal Structure of E64-inhibited C0362 (TDE_0362 [TDE0362] resi 205-647); X-ray diffraction 1.93Å
Protein #1 476 residues (92% resolved)

MTVTIEIKKKPQIKYEEKQAVMPESAAGTYTFEVQTIDGKLDYEPYFTSSTLPWITGAPTISSRTDPNKDVISFTCLKNKTVWNRRAYIKFKDKKTGQYIKGADGKADLTVNIIQKKNENPVVHYKWVDGIGAPTENQKIKMKIKNNGIETEDYFTDPFVFKWKETADTKFYNVRKLDKLYVQGQFPSNYFVINGIRNEQIQGRDISQCWAKTASNMLHWWFEQNKDYIEQYKQKAAIEEWKRPLYKHDYIRGLQDEDEGKKSNIANIFRAYSHNNARGGYIEDGLTWYLYKRDGQKNLGSIYPGLFNDVFAHDTSPINIERCETKKEFEQLMNKTLDNKRAIGIFWQGSKGNRPYQHAVTCWGAAYDEDNNIICLYIAESNLPEAVLYPFGVRYKGNIYEEAEKNRTYMFNYALSKPENIYIDGLTTLDKGEDQWKKWLEAHQKGELNSKLEGKPIPNPLLGLDSTRTGHHHHHH

MTVTIEIKKKPQIKYEEKQAVMPESAAGTYTFEVQTIDGKLDYEPYFTSSTLPWITGAPTISSRTDPNKDVISFTCLKNKTVWNRRAYIKFKDKKTGQYIKGADGKADLTVNIIQKKNENPVVHYKWVDGIGAPTENQKIKMKIKNNGIETEDYFTDPFVFKWKETADTKFYNVRKLDKLYVQGQFPSNYFVINGIRNEQIQGRDISQCWAKTASNMLHWWFEQNKDYIEQYKQKAAIEEWKRPLYKHDYIRGLQDEDEGKKSNIANIFRAYSHNNARGGYIEDGLTWYLYKRDGQKNLGSIYPGLFNDVFAHDTSPINIERCETKKEFEQLMNKTLDNKRAIGIFWQGSKGNRPYQHAVTCWGAAYDEDNNIICLYIAESNLPEAVLYPFGVRYKGNIYEEAEKNRTYMFNYALSKPENIYIDGLTTLDKGEDQWKKWLEAHQKGELNSKLEGKPIPNPLLGLDSTRTGHHHHHH
Non polymer #2 E64

InChI=1S/C15H29N5O5/c1-9(2)7-10(20-14(25)11(21)8-12(22)23)13(24)18-5-3-4-6-19-15(16)17/h9-11,21H,3-8H2,1-2H3,(H,18,24)(H,20,25)(H,22,23)(H4,16,17,19)/p+1/t10-,11-/m0/s1

CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
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Reference