Structure of PDB 5q1c Chain A

Receptor sequence
>5q1cA (length=229) Species: 9606 (Homo sapiens) [Search protein sequence]
ELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMATN
HVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSG
HSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSP
DRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTF
NHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
3D structure
PDB5q1c D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution2.3 Å
3D
structure
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Enzymatic activity
Enzyme Commision number ?
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 peptide A E304 K307 I321 L324 K325 P467 L468 E471 I472 E57 K60 I74 L77 K78 P220 L221 E224 I225
BS02 9NA A I273 I277 N287 L291 M294 M332 F333 S336 I339 F340 I356 I361 M369 Y373 I26 I30 N40 L44 M47 M85 F86 S89 I92 F93 I109 I114 M122 Y126 PDBbind-CN: -logKd/Ki=8.08,IC50=0.0084uM
BindingDB: IC50=8.400000nM
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
GO:0032052 bile acid binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0038183 bile acid signaling pathway

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Molecular Function
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Biological Process
External links
PDB RCSB:5q1c, PDBe:5q1c, PDBj:5q1c
PDBsum5q1c
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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