Structure of PDB 9iyf Chain F Binding Site BS01
Receptor Information
>9iyf Chain F (length=173) Species:
399742
(Enterobacter sp. 638) [
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MASMTGGQQMGRGSMSTKAIYPGTFDPITNGHIDIITRAASMFDRVILAI
AASPSKKPMFDLEERVALATTALQHLPNVEVMGFSDLMANFARAQQANIL
IRGLRAVADFEYEMQLAHMNRHLMPELESVFLMPSKEWSFISSSLVKEVA
RHAGDVTHFLPANVHQALMEKLK
Ligand information
Ligand ID
PAE
InChI
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKey
XUYJLQHKOGNDPB-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C(=O)O)P(=O)(O)O
ACDLabs 10.04
O=C(O)CP(=O)(O)O
CACTVS 3.341
OC(=O)C[P](O)(O)=O
Formula
C2 H5 O5 P
Name
PHOSPHONOACETIC ACID
ChEMBL
CHEMBL50300
DrugBank
DB02823
ZINC
ZINC000003869741
PDB chain
9iyf Chain F Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
9iyf
Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter spp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.37 A resolution.
Resolution
2.37 Å
Binding residue
(original residue number in PDB)
H18 S128 S129 S130
Binding residue
(residue number reindexed from 1)
H32 S142 S143 S144
Annotation score
1
External links
PDB
RCSB:9iyf
,
PDBe:9iyf
,
PDBj:9iyf
PDBsum
9iyf
PubMed
UniProt
A4W515
|COAD_ENT38 Phosphopantetheine adenylyltransferase (Gene Name=coaD)
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