BioLiP

Structure of PDB 5q0u Chain A Binding Site BS01

Receptor Information

>5q0u Chain A (length=230) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMAT
NHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPS
GHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILS
PDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRT
FNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ

Ligand information

>5q0u Chain B (length=12) Species: 9606 (Homo sapiens) [Search peptide sequence] [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

DHQLLRYLLDKD

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5q0u D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	K307 I321 L324 K325 P467 L468 E471 I472
Binding residue (residue number reindexed from 1)	K61 I75 L78 K79 P221 L222 E225 I226

Enzymatic activity

Enzyme Commision number

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

PDB	RCSB:5q0u, PDBe:5q0u, PDBj:5q0u
PDBsum	5q0u
PubMed	29204945
UniProt	Q96RI1\|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)