Structure of PDB 7c19 Chain A Binding Site BS01

Receptor Information

>7c19 Chain A (length=395) Species: 300852 (Thermus thermophilus HB8)

MKPEDVIKEQCARAKVVAELWHGFTGGAPKAALENLVVEFNKAQQGRCVR
PVPQGGYRDLSTKIKAAFAAGKVPTMAQAFENNIALYLEAKALLPIESLG
VKLQGVNLTFLNAVRFGGVVYGVPFNKSIQVLYYNKDLLKKHGVPVPATL
EEFVAAAKKLSRAEGGPVYWFQPDASTFAYFFFNLGGSYLKDGKLVLNSK
EAVEALTLLQNGVKEGWAKPITSGAINQNLGSGPYAFSVDTSAGYTAYLR
AAKFDLGVATLPGRTKGQPGYGLVQGTNLVVFRQASKEEQAVAKDFLEFV
LSPRAQAVFATATGYVPVTEGALKDPVYQAYAAENPDYATIVRQSRYAKF
EPALAEWEQIRFDILGQAIKEAILNKADPKAALDRAQKLAEDLLS

Ligand information

• Ligand ID: PO2
• InChI: InChI=1S/HO2P/c1-3-2/h(H,1,2)/p-1
• InChIKey: GQZXNSPRSGFJLY-UHFFFAOYSA-M
• SMILES:
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [O-]P=O
• Formula: O2 P
• Name: HYPOPHOSPHITE
• DrugBank: DB04053
• PDB chain: 7c19 Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7c19 Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
• Resolution: 1.77 Å
• Binding residue (original residue number in PDB): F361 K369
• Binding residue (residue number reindexed from 1): F362 K370
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:1901982 maltose binding

Biological Process

• GO:0015768 maltose transport
• GO:0042956 maltodextrin transmembrane transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

External links

• PDB: RCSB:7c19, PDBe:7c19, PDBj:7c19
• PDBsum: 7c19
• PubMed: 33599038
• UniProt: Q5SLB4