Structure of PDB 5ts2 Chain A Binding Site BS02

Receptor Information

>5ts2 Chain A (length=165) Species: 557722 (Pseudomonas aeruginosa LESB58)

AHHHHHHMNRVLYPGTFDPITKGHGDLIERASRLFDHVIIAVAASPKKNP
LFSLEQRVALAQEVTKHLPNVEVVGFSTLLAHFVKEQKANVFLRGLRAVS
DFEYEFQLANMNRQLAPDVESMFLTPSEKYSFISSTLVREIAALGGDISK
FVHPAVADALAERFK

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5ts2 Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ts2 Crystal structure of a phosphopantetheine adenylyltransferase (CoaD, PPAT) from Pseudomonas aeruginosa bound to dephospho coenzyme A
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H-5 H-3
• Binding residue (residue number reindexed from 1): H2 H4
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H17 K41 R90 S128
• Catalytic site (residue number reindexed from 1): H24 K48 R97 S135
• Enzyme Commision number: 2.7.7.3: pantetheine-phosphate adenylyltransferase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004595 pantetheine-phosphate adenylyltransferase activity
• GO:0005524 ATP binding
• GO:0008771 [citrate (pro-3S)-lyase] ligase activity
• GO:0016779 nucleotidyltransferase activity

Biological Process

• GO:0009058 biosynthetic process
• GO:0015937 coenzyme A biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5ts2, PDBe:5ts2, PDBj:5ts2
• PDBsum: 5ts2
• UniProt: Q9I6D1|COAD_PSEAE Phosphopantetheine adenylyltransferase (Gene Name=coaD)