Structure of PDB 9iye Chain B Binding Site BS01

Receptor Information
>9iye Chain B (length=173) Species: 399742 (Enterobacter sp. 638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASMTGGQQMGRGSMSTKAIYPGTFDPITNGHIDIITRAASMFDRVILAI
AASPSKKPMFDLEERVALATTALQHLPNVEVMGFSDLMANFARAQQANIL
IRGLRAVADFEYEMQLAHMNRHLMPELESVFLMPSKEWSFISSSLVKEVA
RHAGDVTHFLPANVHQALMEKLK
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 chain9iye Chain B Residue 202 [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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PDB9iye Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter spp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.39 A resolution.
Resolution2.39 Å
Binding residue
(original residue number in PDB)		H18 S128 S129 S130
Binding residue
(residue number reindexed from 1)		H32 S142 S143 S144
Annotation score1
External links
PDB RCSB:9iye, PDBe:9iye, PDBj:9iye
PDBsum9iye
PubMed
UniProtA4W515|COAD_ENT38 Phosphopantetheine adenylyltransferase (Gene Name=coaD)

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