Structure of PDB 4nau Chain A

Receptor sequence
>4nauA (length=159) Species: 196620 (Staphylococcus aureus subsp. aureus MW2) [Search protein sequence]
EHTIAVIPGSFDPITYGHLDIIERSTDRFDEIHVCVLKNSKKEGTFSLEE
RMDLIEQSVKHLPNVKVHQFSGLLVDYCEQVGAKTIIRGLRAVSDFEYEL
RLTSMNKKLNNEIETLYMMSSTNYSFISSSIVKEVAAYRADISEFVPPYV
EKALKKKFK
3D structure
PDB4nau Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
ChainA
Resolution2.33 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H19 K43 R92 S130
Catalytic site (residue number reindexed from 1) H18 K42 R91 S129
Enzyme Commision number 2.7.7.3: pantetheine-phosphate adenylyltransferase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 AGS A S11 G18 H19 I22 R89 R92 S121 I128 S129 S130 S131 S10 G17 H18 I21 R88 R91 S120 I127 S128 S129 S130
BS02 2W3 A P9 C36 L38 K43 F71 G73 L74 L75 R89 Y99 L103 M106 N107 P8 C35 L37 K42 F70 G72 L73 L74 R88 Y98 L102 M105 N106 PDBbind-CN: -logKd/Ki=9.06,IC50=0.87nM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004595 pantetheine-phosphate adenylyltransferase activity
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0015937 coenzyme A biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Cellular Component
External links
PDB RCSB:4nau, PDBe:4nau, PDBj:4nau
PDBsum4nau
PubMed24041904
UniProtP63820|COAD_STAAW Phosphopantetheine adenylyltransferase (Gene Name=coaD)

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