Structure of PDB 3x1k Chain A Binding Site BS02

Receptor Information

>3x1k Chain A (length=157) Species: 350703 (Pseudomonas aeruginosa 2192)

NRVLYPGTFDPITKGHGDLIERASRLFDHVIIAVAASPKKNPLFSLEQRV
ALAQEVTKHLPNVEVVGFSTLLAHFVKEQKANVFLRGLRAVSDFEYEFQL
ANMNRQLAPDVESMFLTPSEKYSFISSTLVREIAALGGDISKFVHPAVAD
ALAERFK

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 3x1k Chain A Residue 1004

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3x1k Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa
• Resolution: 2.547 Å
• Binding residue (original residue number in PDB): P110 E113
• Binding residue (residue number reindexed from 1): P109 E112
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H17 K41 R90 S128
• Catalytic site (residue number reindexed from 1): H16 K40 R89 S127
• 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:3x1k, PDBe:3x1k, PDBj:3x1k
• PDBsum: 3x1k
• PubMed: 27041211
• UniProt: A0A0X1KGP2