Structure of PDB 5q17 Chain A

Receptor sequence
>5q17A (length=224) Species: 9606 (Homo sapiens) [Search protein sequence]
HMELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMA
TNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLP
SGHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVIL
SPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELR
TFNHHHAEMLMSHKFTPLLCEIWD
3D structure
PDB5q17 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution2.1 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 V303 E304 K307 H317 Q320 I321 L324 K325 V58 E59 K62 H72 Q75 I76 L79 K80
BS02 9MV A M269 P270 L291 M294 H298 M332 S336 I339 W473 M24 P25 L46 M49 H53 M87 S91 I94 W223 PDBbind-CN: -logKd/Ki=5.25,IC50=5.64uM
BindingDB: IC50=5640nM
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:5q17, PDBe:5q17, PDBj:5q17
PDBsum5q17
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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