Structure of PDB 6ye6 Chain A Binding Site BS01

Receptor Information
>6ye6 Chain A (length=341) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKTLHIYNWSDYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTG
FDLVVPSASFLERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNK
FAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVS
FLDAPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQ
YINDLANGDICVAIGWAGDVWQASNRAKEAKNGVNVSFSIPKEGAMAFFD
VFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAE
VRENPGIYPPADVRAKLFTLKVQDPKIDRVRTRAWTKVKSG
Ligand information
Ligand IDONT
InChIInChI=1S/C6H15NO2/c1-6(7)5-9-4-3-8-2/h6H,3-5,7H2,1-2H3/t6-/m0/s1
InChIKeyCMXIILNXYHCYPP-LURJTMIESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H](COCCOC)N
OpenEye OEToolkits 2.0.7CC(COCCOC)N
CACTVS 3.385COCCOC[CH](C)N
CACTVS 3.385COCCOC[C@H](C)N
FormulaC6 H15 N O2
Name(2~{S})-1-(2-methoxyethoxy)propan-2-amine;
Jeffamine
ChEMBL
DrugBank
ZINCZINC000019395126
PDB chain6ye6 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ye6 A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		L119 W135
Binding residue
(residue number reindexed from 1)		L91 W107
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0019808 polyamine binding
GO:0019810 putrescine binding
Biological Process
GO:0015846 polyamine transport
GO:0015847 putrescine transport
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
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:6ye6, PDBe:6ye6, PDBj:6ye6
PDBsum6ye6
PubMed33406388
UniProtP31133|POTF_ECOLI Putrescine-binding periplasmic protein PotF (Gene Name=potF)

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