2026-02-14_00000066
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ligand
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13OR
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13474;
X-ray diffraction 2.54Å
Protein #1
354 residues (88% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMASMTGGQQMGRGSSLREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKHV
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMASMTGGQQMGRGSSLREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKHV
Non polymer #2
A1CVN
InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-7-5-3-4-6(10)8(7)11/h3-5H,1-2H3,(H,12,14)
InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-7-5-3-4-6(10)8(7)11/h3-5H,1-2H3,(H,12,14)
SMILES: CN(C)C(=O)Nc1cccc(c1Cl)Cl
CN(C)C(=O)Nc1cccc(c1Cl)Cl
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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