Structure of PDB 7c0k Chain B Binding Site BS01

Receptor Information

>7c0k Chain B (length=397) Species: 300852 (Thermus thermophilus HB8)

MMKPEDVIKEQCARAKVVAELWHGFTGGAPKAALENLVVEFNKAQQGRCV
RPVPQGGYRDLSTKIKAAFAAGKVPTMAQAFENNIALYLEAKALLPIESL
GVKLQGVNLTFLNAVRFGGVVYGVPFNKSIQVLYYNKDLLKKHGVPVPAT
LEEFVAAAKKLSRAEGGPVYWFQPDASTFAYFFFNLGGSYLKDGKLVLNS
KEAVEALTLLQNGVKEGWAKPITSGYINQNLGSGPYAFSVDTSAGYTYYL
RAAKFDLGVATLPGRTKGQPGYGLVQGTNLVVFRQASKEEQAVAKDFLEF
VLSPRAQAVFATATGYVPVTEGALKDPVYQAYAAENPDYATIVRQSRYAK
FEPALAEWEQIRFDILGQAIKEAILNKADPKAALDRAQKLAEDLLSS

Ligand information

• Ligand ID: PDO
• InChI: InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
• InChIKey: YPFDHNVEDLHUCE-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C(CO)CO
  ACDLabs 11.02
  CACTVS 3.352: OCCCO
• Formula: C3 H8 O2
• Name: 1,3-PROPANDIOL
• ChEMBL: CHEMBL379652
• DrugBank: DB02774
• ZINC: ZINC000001529437
• PDB chain: 7c0k Chain B Residue 518

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7c0k Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E38 A42
• Binding residue (residue number reindexed from 1): E40 A44
• 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:7c0k, PDBe:7c0k, PDBj:7c0k
• PDBsum: 7c0k
• PubMed: 33599038
• UniProt: Q5SLB4