Structure of PDB 6ye6 Chain A Binding Site BS07

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 IDONW
InChIInChI=1S/C9H21NO3/c1-8(10)6-13-9(2)7-12-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9-/m1/s1
InChIKeyJKCPHDAMWZLSSR-RKDXNWHRSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COCCOC[CH](C)OC[CH](C)N
OpenEye OEToolkits 2.0.7CC(COC(C)COCCOC)N
CACTVS 3.385COCCOC[C@@H](C)OC[C@@H](C)N
OpenEye OEToolkits 2.0.7C[C@H](CO[C@H](C)COCCOC)N
FormulaC9 H21 N O3
Name(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine;
Jeffamine
ChEMBL
DrugBank
ZINC
PDB chain6ye6 Chain A Residue 411 [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)		E50 K56
Binding residue
(residue number reindexed from 1)		E22 K28
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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