Structure of PDB 5q12 Chain A

Receptor sequence
>5q12A (length=228) Species: 9606 (Homo sapiens) [Search protein sequence]
MELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMAT
NHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPS
GHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILS
PDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRT
FNHHHAEMLMSWRVNDHKFTPLLCEIWD
3D structure
PDB5q12 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 V303 K307 H317 E318 Q320 I321 K325 V57 K61 H71 E72 Q74 I75 K79
BS02 9MA A F288 L291 T292 A295 M332 F333 S336 M369 H451 L455 T466 L469 F42 L45 T46 A49 M86 F87 S90 M123 H205 L209 T220 L223 PDBbind-CN: -logKd/Ki=5.33,IC50=4.64uM
BindingDB: IC50=4640nM
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:5q12, PDBe:5q12, PDBj:5q12
PDBsum5q12
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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