Structure of PDB 7c0k Chain A Binding Site BS03

Receptor Information

>7c0k Chain A (length=396) Species: 300852 (Thermus thermophilus HB8)

MKPEDVIKEQCARAKVVAELWHGFTGGAPKAALENLVVEFNKAQQGRCVR
PVPQGGYRDLSTKIKAAFAAGKVPTMAQAFENNIALYLEAKALLPIESLG
VKLQGVNLTFLNAVRFGGVVYGVPFNKSIQVLYYNKDLLKKHGVPVPATL
EEFVAAAKKLSRAEGGPVYWFQPDASTFAYFFFNLGGSYLKDGKLVLNSK
EAVEALTLLQNGVKEGWAKPITSGYINQNLGSGPYAFSVDTSAGYTYYLR
AAKFDLGVATLPGRTKGQPGYGLVQGTNLVVFRQASKEEQAVAKDFLEFV
LSPRAQAVFATATGYVPVTEGALKDPVYQAYAAENPDYATIVRQSRYAKF
EPALAEWEQIRFDILGQAIKEAILNKADPKAALDRAQKLAEDLLSS

Ligand information

• Ligand ID: BGQ
• InChI: InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m1/s1
• InChIKey: ARXKVVRQIIOZGF-SCSAIBSYSA-N
• SMILES:
  CACTVS 3.385: [O]C[CH](O)CCO
  ACDLabs 12.01: OCC(O)CCO
  CACTVS 3.385: [O]C[C@H](O)CCO
  OpenEye OEToolkits 1.7.6: C(CO)C(C[O])O
  OpenEye OEToolkits 1.7.6: C(CO)[C@H](C[O])O
• Formula: C4 H9 O3
• Name: 2-HYDROXY BUTANE-1,4-DIOL
• ZINC: ZINC000001690069
• PDB chain: 7c0k Chain A Residue 523

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): G25 G26
• Binding residue (residue number reindexed from 1): G26 G27
• 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