Structure of PDB 5q0r Chain A

Receptor sequence
>5q0rA (length=224) Species: 9606 (Homo sapiens) [Search protein sequence]
MELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMAT
NHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPS
GHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILS
PDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRT
FNHHHAEMLMSWHKFTPLLCEIWD
3D structure
PDB5q0r D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution1.91 Å
3D
structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 I321 K325 P467 L468 V57 K61 H71 I75 K79 P217 L218
BS02 9LG A F288 L291 T292 M294 A295 H298 M332 S336 I339 F340 S349 L352 E353 I356 M369 Y373 H451 W473 F42 L45 T46 M48 A49 H52 M86 S90 I93 F94 S103 L106 E107 I110 M123 Y127 H205 W223 PDBbind-CN: -logKd/Ki=4.57,IC50=27uM
BindingDB: IC50=27100nM
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5q0r, PDBe:5q0r, PDBj:5q0r
PDBsum5q0r
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

[Back to BioLiP]