Structure of PDB 5q0u Chain A

Receptor sequence
>5q0uA (length=230) Species: 9606 (Homo sapiens) [Search protein sequence]
MELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMAT
NHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPS
GHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILS
PDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRT
FNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
3D structure
PDB5q0u D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution1.9 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 I321 L324 K325 P467 L468 E471 I472 K61 I75 L78 K79 P221 L222 E225 I226
BS02 9LP A Q267 R268 I273 I277 L291 M294 H298 M332 F333 R335 S336 F340 I356 M369 Y373 Q21 R22 I27 I31 L45 M48 H52 M86 F87 R89 S90 F94 I110 M123 Y127 PDBbind-CN: -logKd/Ki=6.76,IC50=0.175uM
BindingDB: IC50=175nM
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:5q0u, PDBe:5q0u, PDBj:5q0u
PDBsum5q0u
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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