Structure of PDB 8i8l Chain A Binding Site BS02

Receptor Information
>8i8l Chain A (length=159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSTKAIYPGTFDPITNGHIDIITRAASMFDRVILAIAASPSKKPMFDLEE
RVALATTALQHLPNVEVMGFSDLMANFARAQQANILIRGLRAVADFEYEM
QLAHMNRHLMPELESVFLMPSKEWSFISSSLVKEVARHAGDVTHFLPANV
HQALMEKLK
Ligand information
Ligand IDPAE
InChIInChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyXUYJLQHKOGNDPB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)P(=O)(O)O
ACDLabs 10.04O=C(O)CP(=O)(O)O
CACTVS 3.341OC(=O)C[P](O)(O)=O
FormulaC2 H5 O5 P
NamePHOSPHONOACETIC ACID
ChEMBLCHEMBL50300
DrugBankDB02823
ZINCZINC000003869741
PDB chain8i8l Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8i8l Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.23 A resolution.
Resolution Å
Binding residue
(original residue number in PDB)		H18 S128 S129 S130
Binding residue
(residue number reindexed from 1)		H18 S128 S129 S130
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.3: pantetheine-phosphate adenylyltransferase.
External links