Structure of PDB 5q0x Chain A

Receptor sequence
>5q0xA (length=222) Species: 9606 (Homo sapiens) [Search protein sequence]
MELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMAT
NHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKHSDL
LEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQY
IKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHH
AEMLMSWRVHKFTPLLCEIWDV
3D structure
PDB5q0x D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution2.26 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 E318 I321 K325 L468 E471 V57 K61 H71 E72 I75 K79 L215 E218
BS02 643 A M269 F288 L291 M294 A295 F333 R335 S336 I339 M369 Y373 M23 F42 L45 M48 A49 F87 R89 S90 I93 M118 Y122 PDBbind-CN: -logKd/Ki=7.35,IC50=0.045uM
BindingDB: IC50=94nM
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:5q0x, PDBe:5q0x, PDBj:5q0x
PDBsum5q0x
PubMed29204945
UniProtQ96RI1|NR1H4_HUMAN Bile acid receptor (Gene Name=NR1H4)

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