Structure of PDB 5q13 Chain A

Receptor sequence
>5q13A (length=232) Species: 9606 (Homo sapiens) [Search protein sequence]
SHMELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEM
ATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKL
PSGHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVI
LSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTEL
RTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
3D structure
PDB5q13 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 I321 P467 L468 E471 V59 K63 H73 I77 P223 L224 E227
BS02 9MD A I273 L291 M294 H298 M332 F333 R335 S336 I339 F340 L352 I356 S359 M369 Y373 M454 I29 L47 M50 H54 M88 F89 R91 S92 I95 F96 L108 I112 S115 M125 Y129 M210 PDBbind-CN: -logKd/Ki=7.04,IC50=0.091uM
BindingDB: IC50=91nM
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:5q13, PDBe:5q13, PDBj:5q13
PDBsum5q13
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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