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Structure of PDB 7c0t Chain B Binding Site BS01

Receptor Information
>7c0t Chain B (length=396) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKPEDVIKEQCARAKVVAELWHGFTGGAPKAALENLVVEFNKAQQGRCVR
PVPQGGYRDLSTKIKAAFAAGKVPTMAQAFEANIALYLEAKALLPIESLG
VKLQGVNLTFLNAVRFGGVVYGVPFNKSIQVLYYNKDLLKKHGVPVPATL
EEFVAAAKKLSRAEGGPVYWFQPDASTFAYFFFNLGGSYLKDGKLVLNSK
EAVEALTLLQNGVKEGWAKPITSGYINQNLGSGPYAFSVDTSAGYTYYLR
AAKFDLGVATLPGRTKGQPGYGLVQGTNLVVFRQASKEEQAVAKDFLEFV
LSPRAQAVFATATGYVPVTEGALKDPVYQAYAAENPDYATIVRQSRYAKF
EPALAEWEQIRFDILGQAIKEAILNKADPKAALDRAQKLAEDLLSS
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 chain7c0t Chain B Residue 503 [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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PDB7c0t Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		Q129 S175 T176 V238 D239 T240 Q274
Binding residue
(residue number reindexed from 1)		Q130 S176 T177 V239 D240 T241 Q275
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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External links

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