Structure of PDB 7c0v Chain B Binding Site BS01

Receptor Information
>7c0v Chain B (length=395) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPEDVIKEQCARAKVVAELWHGFTGGAPKAALENLVVEFNKAQQGRCVRP
VPQGGYRDLSTKIKAAFAAGKVPTMAQAFENNIALYLEAKALLPIESLGV
KLQGVNLTFLNAVRFGGVVYGVPFNKSIQVLYYNKDLLKKHGVPVPATLE
EFVAAAKKLSRAEGGPVYWFQPDASTFAYFFFNLGGSYLKDGKLVLNSKE
AVEALTLLQNGVKEGWAKPITSGAINQNLGSGPYAFSVDTSAGYTYYLRA
AKFDLGVATLPGRTKGQPGYGLVQGTNLVVFRQASKEEQAVAKDFLEFVL
SPRAQAVFATATGYVPVTEGALKDPVYQAYAAENPDYATIVRQSRYAKFE
PALAEWEQIRFDILGQAIKEAILNKADPKAALDRAQKLAEDLLSS
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain7c0v Chain B Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7c0v Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L107 T108
Binding residue
(residue number reindexed from 1)		L107 T108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7c0v, PDBe:7c0v, PDBj:7c0v
PDBsum7c0v
PubMed33599038
UniProtQ5SLB4

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