Structure of PDB 8tl1 Chain A Binding Site BS01

Receptor Information
>8tl1 Chain A (length=336) Species: 10882 (Orthoreovirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQVCPNYVMLRSSVTTKVVRNVVEYQIRTGGFFSCLAMLRPLQYAKRERL
LGQRNLERISTRDILQTRDLHSLCMPTPDAPMSNHQASTMRELICSYFKV
DHADGLKYIPMDERYSPSSLARLFTMGMAGLHITTEPSYKRVPIMHLAAD
LDCMTLALPYMITLDGDTVVPVAPTLSAEQLLDDGLKGLACMDISYGCEM
DSSRCINELYCEETAEAICVLKTCLVLNCMQFKLEMDDLAHNAAELDKIQ
MMIPFSERVFRMASSFATIDAQCFRFCVMMKDKNLKIDMRETTRLWTRSA
SDDSVATSSLSISLDRGRWVAADASDARLLVFPIRV
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 chain8tl1 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tl1 Structure of Orthoreovirus RNA Chaperone SigmaNS N17
Resolution3.16 Å
Binding residue
(original residue number in PDB)		T181 L182 A208 C209
Binding residue
(residue number reindexed from 1)		T163 L164 A190 C191
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:8tl1, PDBe:8tl1, PDBj:8tl1
PDBsum8tl1
PubMed38503747
UniProtP03526|SIGNS_REOVD Protein sigma-NS (Gene Name=S3)

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