2025-11-29_00000003
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ligand
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9CEH
SARS-CoV Papain-like Protease in complex with an inhibitor;
X-ray diffraction 3.25Å
Protein #1
310 residues (99% resolved)
Raw Sequence ...
KTIKVFTTVDNTNLHTQLVDMSMTYGQQFGPTYLDGADVTKIKPHVNHEGKTFFVLPSDDTLRSEAFEYYHTLDESFLGRYMSALNHTKKWKFPQVGGLTSIKWADNNCYLSSVLLALQQLEVKFNAPALQEAYYRARAGDAANFCALILAYSNKTVGELGDVRETMTHLLQHANLESAKRVLNVVCKHCGQKTTTLTGVEAVMYMGTLSYDNLKTGVSIPCVCGRDATQYLVQQESSFVMMSAPPAEYKLQQGTFLCANEYTGNYQCGHYTHITAKETLYRIDGAHLTKMSEYKGPVTDVFYKETSYTT
Canonical Sequence ...
KTIKVFTTVDNTNLHTQLVDMSMTYGQQFGPTYLDGADVTKIKPHVNHEGKTFFVLPSDDTLRSEAFEYYHTLDESFLGRYMSALNHTKKWKFPQVGGLTSIKWADNNCYLSSVLLALQQLEVKFNAPALQEAYYRARAGDAANFCALILAYSNKTVGELGDVRETMTHLLQHANLESAKRVLNVVCKHCGQKTTTLTGVEAVMYMGTLSYDNLKTGVSIPCVCGRDATQYLVQQESSFVMMSAPPAEYKLQQGTFLCANEYTGNYQCGHYTHITAKETLYRIDGAHLTKMSEYKGPVTDVFYKETSYTT
Non polymer #2
A1AWG
InChI=1S/C32H33N5O4/c1-22(20-25-11-6-10-23-8-2-4-13-27(23)25)34-32(41)28-14-5-3-9-24(28)15-16-30(39)36-37-31(40)18-17-29(38)35-26-12-7-19-33-21-26/h2-14,19,21-22H,15-18,20H2,1H3,(H,34,41)(H,35,38)(H,36,39)(H,37,40)/t22-/m1/s1
InChI=1S/C32H33N5O4/c1-22(20-25-11-6-10-23-8-2-4-13-27(23)25)34-32(41)28-14-5-3-9-24(28)15-16-30(39)36-37-31(40)18-17-29(38)35-26-12-7-19-33-21-26/h2-14,19,21-22H,15-18,20H2,1H3,(H,34,41)(H,35,38)(H,36,39)(H,37,40)/t22-/m1/s1
SMILES: C[C@H](Cc1cccc2c1cccc2)NC(=O)c3ccccc3CCC(=O)NNC(=O)CCC(=O)Nc4cccnc4
C[C@H](Cc1cccc2c1cccc2)NC(=O)c3ccccc3CCC(=O)NNC(=O)CCC(=O)Nc4cccnc4
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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