Structure of PDB 5q1g Chain A

Receptor sequence
>5q1gA (length=224) Species: 9606 (Homo sapiens) [Search protein sequence]
MELTPDQQTLLHFIMDSYNKEITNKILKEAFSAEENFLILTEMATNHVQV
LVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDL
LEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQY
IKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHH
AEMLMSWRVNDHKFTPLLCEIWDV
3D structure
PDB5q1g D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution2.0 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 H317 I321 L324 L468 E471 K56 H66 I70 L73 L217 E220
BS02 9NM A L291 M294 M332 S336 I339 F340 I356 Y373 H451 W458 W473 L40 M43 M81 S85 I88 F89 I105 Y122 H200 W207 W222 PDBbind-CN: -logKd/Ki=3.58,IC50=263uM
BindingDB: IC50=263000nM
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:5q1g, PDBe:5q1g, PDBj:5q1g
PDBsum5q1g
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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