Structure of PDB 5q0w Chain A

Receptor sequence
>5q0wA (length=228) Species: 9606 (Homo sapiens) [Search protein sequence]
MELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMAT
NHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPS
GHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILS
PDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRT
FNHHHAEMLMSWRVNDHKFTPLLCEIWD
3D structure
PDB5q0w 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 V303 K307 H317 E318 Q320 I321 K325 I472 V57 K61 H71 E72 Q74 I75 K79 I226
BS02 9LV A Q267 M269 L291 M294 N297 H298 V301 M332 F333 S336 I339 M369 H451 M454 W458 W473 Q21 M23 L45 M48 N51 H52 V55 M86 F87 S90 I93 M123 H205 M208 W212 W227 PDBbind-CN: -logKd/Ki=7.24,IC50=0.058uM
BindingDB: IC50=58nM
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:5q0w, PDBe:5q0w, PDBj:5q0w
PDBsum5q0w
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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