Structure of PDB 3ng9 Chain E Binding Site BS01

Receptor Information
>3ng9 Chain E (length=520) Species: 85106 (Adeno-associated virus - 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GADGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTG
ASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKL
FNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPF
PADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTF
EEVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRG
SPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRES
IINPGTAMASHKDDEDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEI
KATNPVATERFGTVAVNFQSSSTDPATGDVHAMGALPGMVWQDRDVYLQG
PIWAKIPHTDGHFHPSPLMGGFGLKNPPPQILIKNTPVPANPPAEFSATK
FASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVD
NNGLYTEPRPIGTRYLTRPL
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain3ng9 Chain E Residue 737 [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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PDB3ng9 Structure to Function Correlations for Adeno-Associated Virus serotype 1
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H630 S632 G639
Binding residue
(residue number reindexed from 1)		H414 S416 G423
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity
Cellular Component
GO:0019028 viral capsid
GO:0039615 T=1 icosahedral viral capsid

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Molecular Function
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Cellular Component
External links
PDB RCSB:3ng9, PDBe:3ng9, PDBj:3ng9
PDBsum3ng9
PubMed
UniProtQ9WBP8

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