Structure of PDB 1x9t Chain A Binding Site BS03

Receptor Information
>1x9t Chain A (length=440) Species: 10515 (Human adenovirus 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNSIRYSELAPLFDTTRVYLVDNKSTDVASLNYQNDHSNFLTTVIQNNDY
SPGEASTQTINLDDRSHWGGDLKTILHTNMPNVNEFMFTNKFKARVMVSR
SLTKDKQVELKYEWVEFTLPEGNYSETMTIDLMNNAIVEHYLKVGRQNGV
LESDIGVKFDTRNFRLGFDPVTGLVMPGVYTNEAFHPDIILLPGCGVDFT
HSRLSNLLGIRKRQPFQEGFRITYDDLEGGNIPALLDVDAYQASLKKPVI
KPLTEDSKKRSYNLISNDSTFTQYRSWYLAYNYGDPQTGIRSWTLLCTPD
VTCGSEQVYWSLPDMMQDPVTFRSTSQISNFPVVGAELLPVHSKSFYNDQ
AVYSQLIRQFTSLTHVFNRFPENQILARPPAPTITTVSENVPALTDHGTL
PLRNSIGGVQRVTITDARRRTCPYVYKALGIVSPRVLSSR
Ligand information
Ligand IDC15
InChIInChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3/p+1
InChIKeyIZWSFJTYBVKZNK-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCC[N+](C)(CCCCCCCCCCCC)C
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O
CACTVS 3.341CCCCCCCCCCCC[N+](C)(C)CCC[S](O)(=O)=O
FormulaC17 H38 N O3 S
NameN-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE
ChEMBL
DrugBankDB02643
ZINCZINC000014880434
PDB chain1x9t Chain A Residue 2000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1x9t The structure of the human adenovirus 2 penton
Resolution3.5 Å
Binding residue
(original residue number in PDB)		R146 W165 R272
Binding residue
(residue number reindexed from 1)		R95 W114 R221
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity
Biological Process
GO:0019062 virion attachment to host cell
GO:0046718 symbiont entry into host cell
GO:0075509 endocytosis involved in viral entry into host cell
GO:0075512 clathrin-dependent endocytosis of virus by host cell
Cellular Component
GO:0039623 T=25 icosahedral viral capsid
GO:0042025 host cell nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1x9t, PDBe:1x9t, PDBj:1x9t
PDBsum1x9t
PubMed15629723
UniProtP03276|CAPSP_ADE02 Penton protein (Gene Name=L2)

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