2026-08-08_00000236
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ligand
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9TDQ
Crystal structure of CHIKV nsp3 macrodomain with MDOLL-0273;
X-ray diffraction 1.65Å
Protein #1
162 residues (100% resolved)
Raw Sequence ...
SMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYSESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQMRT
Canonical Sequence ...
SMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYSESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQMRT
Non polymer #2
A1JVJ
InChI=1S/C16H15N3O3S/c1-9-10(2)19(12-6-4-3-5-11(9)12)15(22)8-23-16-17-13(20)7-14(21)18-16/h3-7H,8H2,1-2H3,(H2,17,18,20,21)
InChI=1S/C16H15N3O3S/c1-9-10(2)19(12-6-4-3-5-11(9)12)15(22)8-23-16-17-13(20)7-14(21)18-16/h3-7H,8H2,1-2H3,(H2,17,18,20,21)
SMILES: Cc1c(n(c2c1cccc2)C(=O)CSC3=NC(=CC(=O)N3)O)C
Cc1c(n(c2c1cccc2)C(=O)CSC3=NC(=CC(=O)N3)O)C
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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Reference
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