Structure of PDB 5q1h Chain A

Receptor sequence
>5q1hA (length=229) Species: 9606 (Homo sapiens) [Search protein sequence]
MELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMAT
NHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPS
GHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILS
PDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRT
FNHHHAEMLMSWRVNDHKFTPLLCEIWDV
3D structure
PDB5q1h D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution2.2 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 K307 E318 I321 K325 P467 L468 E471 K61 E72 I75 K79 P221 L222 E225
BS02 9NP A N287 L291 M294 H298 M332 F333 S336 I339 I356 S359 I361 Y373 H451 M454 L455 W458 N41 L45 M48 H52 M86 F87 S90 I93 I110 S113 I115 Y127 H205 M208 L209 W212 PDBbind-CN: -logKd/Ki=5.10,IC50=7.95uM
BindingDB: IC50=6250nM
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:5q1h, PDBe:5q1h, PDBj:5q1h
PDBsum5q1h
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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