Structure of PDB 4uc9 Chain A Binding Site BS01

Receptor Information
>4uc9 Chain A (length=219) Species: 11259 (Human respiratory syncytial virus A2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIDTPNYDVQKHINKLCGMLLITEDANHKFTGLIGMLYAMSRLGREDTIK
ILRDAGYHVKANGVDVTTHRQDINEMKFEVLTLASLTTEIQINIEIESRK
SYKKMLKEMGEVAPEYRHDSPDCGMIILCIAALVITKLAAGDRSGLTAVI
RRANNVLKNEMKRYKGLLPKDIANSFYEVFEKHPHFIDVFVHFGIAQSST
RGGSRVEGIFAGLFMNAYG
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain4uc9 Chain A Residue 1300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uc9 A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y135 R150
Binding residue
(residue number reindexed from 1)		Y102 R117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0019013 viral nucleocapsid

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4uc9, PDBe:4uc9, PDBj:4uc9
PDBsum4uc9
PubMed26246564
UniProtP03418|NCAP_HRSVA Nucleoprotein (Gene Name=N)

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