Structure of PDB 7fd2 Chain N Binding Site BS02

Receptor Information
>7fd2 Chain N (length=419) Species: 59300 (Getah virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVTEHFNVYKATKPYLAYCADCGDGQFCYSPVAIEKIRDEASDGMIKIQV
AAQIGINKGGTHEHNKIRYIAGHDMKEANRDSLQVYTSGVCAIRGTMGHF
IVAYCPPGDELKVQFQDAESHTQACKVQYKHAPAPVGREKFTVRPHFGIE
VPCTTYQLTTAPTEEEIDMHTPPDIPDITLLSQQSGNVKITAGGKTIRYN
CTCGSGNVGTTSSDKTINSCKIAQCHAAVTNHDKWQYTSSFVPRADQLSR
KGKVHVPFPLTNSTCRVPVARAPGVTYGKRELTVKLHPDHPTLLTYRSLG
ADPRPYEEWIDRYVERTIPVTEDGIEYRWGNNPPVRLWAQLTTEGKPHGW
PHEIILYYYGLYPAATIAAVSAAGLAVVLSLLASCYMFATARRKCLTPYA
LTPGAVVPVTLGVLCCAPR
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7fd2 Chain N Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7fd2 Structure of infective Getah virus at 2.8 angstrom resolution determined by cryo-electron microscopy.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		H352 L356 V370 G374 V377
Binding residue
(residue number reindexed from 1)		H352 L356 V370 G374 V377
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.90: togavirin.
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity
Cellular Component
GO:0019028 viral capsid

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:7fd2, PDBe:7fd2, PDBj:7fd2
PDBsum7fd2
PubMed35149682
UniProtQ5Y388|POLS_GETV Structural polyprotein

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