2025-12-20_00000351
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ligand
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9Y8W
MERS Mpro with EGT710;
X-ray diffraction 3.04Å
Protein #1
306 residues (98% resolved)
Raw Sequence ...
SGLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQLSDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANPSTPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSCGSVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIMGVVMQ
Canonical Sequence ...
SGLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQLSDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANPSTPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSCGSVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIMGVVMQ
Non polymer #2
A1CBU
InChI=1S/C19H14F3N5O/c20-19(21,22)17-6-5-13(9-25-17)26-11-14(7-23)27(18(26)28)16-10-24-8-12-3-1-2-4-15(12)16/h1-10,14,23H,11H2/b23-7+/t14-/m0/s1
InChI=1S/C19H14F3N5O/c20-19(21,22)17-6-5-13(9-25-17)26-11-14(7-23)27(18(26)28)16-10-24-8-12-3-1-2-4-15(12)16/h1-10,14,23H,11H2/b23-7+/t14-/m0/s1
SMILES: c1ccc2c(c1)cncc2N3[C@H](CN(C3=O)c4ccc(nc4)C(F)(F)F)C=N
c1ccc2c(c1)cncc2N3[C@H](CN(C3=O)c4ccc(nc4)C(F)(F)F)C=N
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
Download coordinates
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Model
Reference
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