Structure of PDB 1tp7 Chain A Binding Site BS01

Receptor Information
>1tp7 Chain A (length=460) Species: 31708 (rhinovirus A16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQIQISKHVKDVGLPSIHTPTKTKLQPSVFYDIFPGSKEPAVLTEKDPRL
KVDFDSALFSKYKGNTECSLNEHIQVAVAHYSAQLATLDIDPQPIAMEDS
VFGMDGLEALDLNTSAGYPYVTLGIKKKDLINNKTKDISKLKLALDKYDV
DLPMITFLKDELRKKDKIAAGKTRVIEASSINDTILFRTVYGNLFSKFHL
NPGVVTGCAVGCDPETFWSKIPLMLDGDCIMAFDYTNYDGSIHPIWFKAL
GMVLDNLSFNPTLINRLCNSKHIFKSTYYEVEGGVPSGCSGTSIFNSMIN
NIIIRTLVLDAYKHIDLDKLKIIAYGDDVIFSYKYKLDMEAIAKEGQKYG
LTITPADKSSEFKELDYGNVTFLKRGFRQDDKYKFLIHPTFPVEEIYESI
RWTKKPSQMQEHVLSLCHLMWHNGPEIYKDFETKIRSVSAGRALYIPPYE
LLRHEWYEKF
Ligand information
Ligand IDDMX
InChIInChI=1S/C12H19NO3S/c1-13(2,9-6-10-17(14,15)16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyMEJASPJNLSQOAG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1
ACDLabs 10.04[O-]S(=O)(=O)CCC[N+](C)(Cc1ccccc1)C
CACTVS 3.341C[N+](C)(CCC[S]([O-])(=O)=O)Cc1ccccc1
FormulaC12 H19 N O3 S
Name3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
ChEMBL
DrugBank
ZINC
PDB chain1tp7 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tp7 Crystal structure of complete rhinovirus RNA polymerase suggests front loading of protein primer.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		P222 D366 Y367 Q379
Binding residue
(residue number reindexed from 1)		P222 D366 Y367 Q379
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.28: picornain 3C.
3.4.22.29: picornain 2A.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
Biological Process
GO:0006351 DNA-templated transcription
GO:0039694 viral RNA genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1tp7, PDBe:1tp7, PDBj:1tp7
PDBsum1tp7
PubMed15596823
UniProtQ82122|POLG_HRV16 Genome polyprotein

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