Structure of PDB 3k9w Chain A Binding Site BS03

Receptor Information

>3k9w Chain A (length=163) Species: 320372 (Burkholderia pseudomallei 1710b)

GSMVVAVYPGTFDPLTRGHEDLVRRASSIFDTLVVGVADSRAKKPFFSLE
ERLKIANEVLGHYPNVKVMGFTGLLKDFVRANDARVIVRGLRAVSDFEYE
FQMAGMNRYLLPDVETMFMTPSDQYQFISGTIVREIAQLGGDVSKFVFPS
VEKWLTEKVAAMA

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 3k9w Chain A Residue 171

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3k9w Structures of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): R90 S93 E98
• Binding residue (residue number reindexed from 1): R92 S95 E100
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H17 K41 R90 G128
• Catalytic site (residue number reindexed from 1): H19 K43 R92 G130
• 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:0016779 nucleotidyltransferase activity

Biological Process

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

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3k9w, PDBe:3k9w, PDBj:3k9w
• PDBsum: 3k9w
• PubMed: 21904046
• UniProt: Q3JW91|COAD_BURP1 Phosphopantetheine adenylyltransferase (Gene Name=coaD)