Structure of PDB 8g4a Chain B Binding Site BS01

Receptor Information
>8g4a Chain B (length=106) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTEFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLR
DSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIIC
TNTNVK
Ligand information
Ligand IDYL8
InChIInChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)
InChIKeyKKJFZIQEWZVVIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2n[nH]nn2
CACTVS 3.385FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2n[nH]nn2
ACDLabs 12.01FC(F)(F)c1cc(cc(c1)c1n[NH]nn1)C(F)(F)F
FormulaC9 H4 F6 N4
Name5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole
ChEMBL
DrugBank
ZINC
PDB chain8g4a Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8g4a Use of High Pressure NMR Spectroscopy to Rapidly Identify Proteins with Internal Ligand-Binding Voids
Resolution1.97 Å
Binding residue
(original residue number in PDB)		I364 R366 F375 I458
Binding residue
(residue number reindexed from 1)		I5 R7 F16 I99
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8g4a, PDBe:8g4a, PDBj:8g4a
PDBsum8g4a
PubMed
UniProtP27540|ARNT_HUMAN Aryl hydrocarbon receptor nuclear translocator (Gene Name=ARNT)

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