Structure of PDB 8hjt Chain C Binding Site BS01

Receptor Information
>8hjt Chain C (length=180) Species: 30538 (Vicugna pacos) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KALFQPADVILDPNTANPILLVSDDQRSLQRADERQNLPDNPERFDWHYC
VLGCKSFTSGRHYWEVEVGDRKEWHIGVCQENVERKCWVKMTPENGFWTV
GLTDGSKYRALSDPRTKLTVANPPQRVGVFLDYETGEVSFYNAMDGSHIY
TFPHTFFSGPLWPVFRILTLEPTALTICPA
Ligand information
Ligand IDH6P
InChIInChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
InChIKeyMDSIZRKJVDMQOQ-GORDUTHDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(=CCOP(=O)(O)OP(=O)(O)O)CO
ACDLabs 12.01O=P(O)(O)OP(=O)(OC\C=C(/C)CO)O
CACTVS 3.370CC(CO)=CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.2C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CO
CACTVS 3.370C\C(CO)=C/CO[P](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O8 P2
Name(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
ChEMBLCHEMBL145233
DrugBank
ZINCZINC000008436838
PDB chain8hjt Chain C Residue 601 [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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PDB8hjt Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Resolution2.91 Å
Binding residue
(original residue number in PDB)		W380 H381 Y382 R442 R448 R499 L501
Binding residue
(residue number reindexed from 1)		W47 H48 Y49 R109 R115 R166 L168
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links