2026-05-23_00000365
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ligand
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9XG7
The crystal structure of MERS-CoV Main protease in complex with inhibitor FD2-21;
X-ray diffraction 2.53Å
Protein #1
304 residues (100% resolved)
Raw Sequence ...
SGLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQLSDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANPSTPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSCGSVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIMGVV
Canonical Sequence ...
SGLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQLSDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANPSTPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSCGSVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIMGVV
Non polymer #2
A1EZ7
InChI=1S/C17H15ClN4O2/c18-14-4-2-1-3-13(14)10-6-17(7-10)15(23)22(16(24)21-17)12-5-11(19)8-20-9-12/h1-5,8-10H,6-7,19H2,(H,21,24)/t10-,17+
InChI=1S/C17H15ClN4O2/c18-14-4-2-1-3-13(14)10-6-17(7-10)15(23)22(16(24)21-17)12-5-11(19)8-20-9-12/h1-5,8-10H,6-7,19H2,(H,21,24)/t10-,17+
SMILES: c1ccc(c(c1)C2CC3(C2)C(=O)N(C(=O)N3)c4cc(cnc4)N)Cl
c1ccc(c(c1)C2CC3(C2)C(=O)N(C(=O)N3)c4cc(cnc4)N)Cl
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
100%