Structure of PDB 5q11 Chain A

Receptor sequence
>5q11A (length=221) Species: 9606 (Homo sapiens) [Search protein sequence]
MELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMAT
NHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPS
GHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILS
PDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPNPQHFACLLGRLTELRTF
NHHHAEMLMSHKFTPLLCEIW
3D structure
PDB5q11 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution2.2 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 K325 L468 E471 K61 H71 I75 K79 L216 E219
BS02 9M7 A F288 L291 T292 M294 A295 M332 F333 S336 L352 Y365 M369 Y373 M454 W473 F42 L45 T46 M48 A49 M86 F87 S90 L106 Y119 M123 Y127 M207 W221 PDBbind-CN: -logKd/Ki=5.14,IC50=7.19uM
BindingDB: IC50=7190nM
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:5q11, PDBe:5q11, PDBj:5q11
PDBsum5q11
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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