Structure of PDB 8tl8 Chain A Binding Site BS01

Receptor Information
>8tl8 Chain A (length=334) Species: 10882 (Orthoreovirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQVCPNYVMLRSSVTTKVVRNVVEYQIRTGGFFSCLAMLRPLQYAKRERL
LGQRNLERISTRDILQTRDLHSLCMPTPDAPMSNHQASTMRELICSYFKV
DHADGLKYIPMDERYSPSSLARLFTMGMAGLHITTEPSYKRVPIMHLAAD
LDCMTLALPYMITLDGDTVVPVAPTLSAEQLLDDGLKGLACMDISYGCES
SRCINELYCEETAEAICVLKTCLVLNCMQFKLEMDDLAHNAAELDKIQMM
IPFSERVFRMASSFATIDAQCFRFCVMMKDKNLKIDMRETTRLWTRSASD
DSVATSSLSISLDRGRWVAADASDARLLVFPIRV
Ligand information
Ligand IDGCH
InChIInChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
InChIKeyRFDAIACWWDREDC-FRVQLJSFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
ACDLabs 10.04O=C(O)CNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
CACTVS 3.341C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C
OpenEye OEToolkits 1.5.0C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
OpenEye OEToolkits 1.5.0CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
FormulaC26 H43 N O6
NameGLYCOCHOLIC ACID;
N-CHOLYLGLYCINE
ChEMBLCHEMBL411070
DrugBank
ZINCZINC000008143774
PDB chain8tl8 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tl8 Structure of Orthoreovirus RNA Chaperone SigmaNS R6A mutant in complex with bile acid
Resolution3.2 Å
Binding residue
(original residue number in PDB)		L111 S114 L204 Y240 E242 A245 E246
Binding residue
(residue number reindexed from 1)		L93 S96 L186 Y208 E210 A213 E214
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003727 single-stranded RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
Biological Process
GO:0001172 RNA-templated transcription
Cellular Component
GO:0030430 host cell cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8tl8, PDBe:8tl8, PDBj:8tl8
PDBsum8tl8
PubMed38503747
UniProtP03526|SIGNS_REOVD Protein sigma-NS (Gene Name=S3)

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