Structure of PDB 5q0t Chain A

Receptor sequence
>5q0tA (length=222) Species: 9606 (Homo sapiens) [Search protein sequence]
MELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMAT
NHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPS
GHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILS
PDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRT
FNHHHAEMLHKFTPLLCEIWDV
3D structure
PDB5q0t D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution2.14 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 Q320 I321 K325 L468 V57 K61 H71 Q74 I75 K79 L215
BS02 9LM A F288 L291 T292 M294 A295 M332 R335 S336 I339 L352 I356 Y373 H451 F465 W473 F42 L45 T46 M48 A49 M86 R89 S90 I93 L106 I110 Y127 H205 F212 W220 PDBbind-CN: -logKd/Ki=4.54,IC50=29uM
BindingDB: IC50=29000nM
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:5q0t, PDBe:5q0t, PDBj:5q0t
PDBsum5q0t
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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