Structure of PDB 5q1i Chain A

Receptor sequence
>5q1iA (length=227) Species: 9606 (Homo sapiens) [Search protein sequence]
MELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMAT
NHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPS
HSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSP
DRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTF
NHHHAEMLMSWRVNDHKFTPLLCEIWD
3D structure
PDB5q1i D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution1.95 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 K307 H317 E318 Q320 I321 K325 V57 K61 H71 E72 Q74 I75 K79
BS02 9O1 A L291 M294 A295 H298 M332 F333 S336 I339 L352 I356 M369 Y373 W473 L45 M48 A49 H52 M86 F87 S90 I93 L105 I109 M122 Y126 W226 PDBbind-CN: -logKd/Ki=6.24,IC50=0.57uM
BindingDB: IC50=570nM
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:5q1i, PDBe:5q1i, PDBj:5q1i
PDBsum5q1i
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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