Structure of PDB 7oyx Chain B Binding Site BS03

Receptor Information
>7oyx Chain B (length=347) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKTLHIYNWTDYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTG
FDLVVPSASYLERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNK
FAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVS
FLDDPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQ
YINDLANGDICVAIGWAGDVWQASNRAKEAKNGVNVSFSIPKEGAMAWFD
VFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAE
VRENPGIYPPADVRAKLFTQKVQDPKIDRVRTRAWTKVKSGKLEHHH
Ligand information
Ligand ID3IK
InChIInChI=1S/C15H33NO5/c1-12(16)8-19-14(3)10-21-15(4)11-20-13(2)9-18-7-6-17-5/h12-15H,6-11,16H2,1-5H3/t12-,13+,14-,15+/m1/s1
InChIKeyJXGRSFWTZMOYKY-BARDWOONSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(COC(C)COC(C)COC(C)COCCOC)N
OpenEye OEToolkits 2.0.7C[C@H](CO[C@H](C)CO[C@@H](C)CO[C@@H](C)COCCOC)N
CACTVS 3.385COCCOC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)N
CACTVS 3.385COCCOC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)N
FormulaC15 H33 N O5
Name(2~{R})-1-[(2~{R})-1-[(2~{S})-1-[(2~{S})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine
ChEMBL
DrugBank
ZINC
PDB chain7oyx Chain B Residue 403 [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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PDB7oyx Fine-tuning spermidine binding modes in the putrescine binding protein PotF.
Resolution1.37 Å
Binding residue
(original residue number in PDB)		K122 V350
Binding residue
(residue number reindexed from 1)		K94 V322
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:7oyx, PDBe:7oyx, PDBj:7oyx
PDBsum7oyx
PubMed34801550
UniProtP31133|POTF_ECOLI Putrescine-binding periplasmic protein PotF (Gene Name=potF)

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