2026-02-14_00000302
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ligand
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9N9U
Camel alphacoronavirus (229E-like) Nsp5 in complex with AVI8122;
X-ray diffraction 2.30Å
Protein #1
302 residues (99% resolved)
Raw Sequence ...
AGLRKMAQPSGIVEKCVVRVCYGNTVLNGLWLGDIVYCPRHVIASNTTAAIDYDHEYSIMRLHNFSINSGTAFLGVVGATMHGATLKIKVSQTNMHTPRHSFKTLKSGEGFNILACYDGCAQGVFGVNMRTNWTIRGSFINGACGSPGYNLKNGEVEFVYMHQIELGSGSHVGSSFDGVMYGGFEDQPNLQVESANQMLTVNVVAFLYAAILNGCIWWLKGDKLSVEHYNEWAQANGFTAMNGEDAFSILAAKTGVCVERLLHAIQVLNNGFGGKNILGYSSLNDEFNINEVVKQMFGVNLQ
Canonical Sequence ...
AGLRKMAQPSGIVEKCVVRVCYGNTVLNGLWLGDIVYCPRHVIASNTTAAIDYDHEYSIMRLHNFSINSGTAFLGVVGATMHGATLKIKVSQTNMHTPRHSFKTLKSGEGFNILACYDGCAQGVFGVNMRTNWTIRGSFINGACGSPGYNLKNGEVEFVYMHQIELGSGSHVGSSFDGVMYGGFEDQPNLQVESANQMLTVNVVAFLYAAILNGCIWWLKGDKLSVEHYNEWAQANGFTAMNGEDAFSILAAKTGVCVERLLHAIQVLNNGFGGKNILGYSSLNDEFNINEVVKQMFGVNLQ
Non polymer #2
A1BWH
InChI=1S/C24H31FN4O5/c25-16-5-1-3-14-10-19(27-21(14)16)24(34)29-18(9-13-6-7-13)23(33)28-17(20(31)12-30)11-15-4-2-8-26-22(15)32/h1,3,5,10,13,15,17-18,20,27,30-31H,2,4,6-9,11-12H2,(H,26,32)(H,28,33)(H,29,34)/t15-,17-,18-,20+/m0/s1
InChI=1S/C24H31FN4O5/c25-16-5-1-3-14-10-19(27-21(14)16)24(34)29-18(9-13-6-7-13)23(33)28-17(20(31)12-30)11-15-4-2-8-26-22(15)32/h1,3,5,10,13,15,17-18,20,27,30-31H,2,4,6-9,11-12H2,(H,26,32)(H,28,33)(H,29,34)/t15-,17-,18-,20+/m0/s1
SMILES: c1cc2cc([nH]c2c(c1)F)C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]4CCCNC4=O)[C@@H](CO)O
c1cc2cc([nH]c2c(c1)F)C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]4CCCNC4=O)[C@@H](CO)O
Non polymer #3
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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