Structure of PDB 8jyc Chain D Binding Site BS01

Receptor Information
>8jyc Chain D (length=178) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALFKPADVILDPKTANPILLVSEDQRSVQRAKEPQDLPDNPERFNWHYCV
LGCESFISGRHYWEVEVGDRKEWHIGVCSKNVQRKGWVKMTPENGFWTMG
LTDGNKYRTLTEPRTNLKLPKPPKKVGVFLDYETGDISFYNAVDGSHIHT
FLDVSFSEALYPVFRILTLEPTALTICP
Ligand information
Ligand IDDMA
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKeyCBIDRCWHNCKSTO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCOP(=O)(O)OP(=O)(O)O)C
ACDLabs 10.04O=P(OP(=O)(OC/C=C(/C)C)O)(O)O
OpenEye OEToolkits 1.5.0CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C
CACTVS 3.341CC(C)=CCO[P@](O)(=O)O[P](O)(O)=O
CACTVS 3.341CC(C)=CCO[P](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O7 P2
NameDIMETHYLALLYL DIPHOSPHATE
ChEMBLCHEMBL343480
DrugBankDB01785
ZINCZINC000008215740
PDB chain8jyc Chain D 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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PDB8jyc Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		W350 H351 W391 R412 R418 R469 L471
Binding residue
(residue number reindexed from 1)		W46 H47 W87 R108 R114 R165 L167
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8jyc, PDBe:8jyc, PDBj:8jyc
PDBsum8jyc
PubMed37674084
UniProtO00481|BT3A1_HUMAN Butyrophilin subfamily 3 member A1 (Gene Name=BTN3A1)

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