Structure of PDB 7oyv Chain A Binding Site BS01

Receptor Information

>7oyv Chain A (length=341) Species: 562 (Escherichia coli)

QKTLHIYNWTDYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTG
FDLVVPSAYALERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNK
FAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVS
FLDDPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQ
YINDLANGDICVAIGWAGDVWQASNRAKEAKNGVNVSFSIPKEGAMAWFD
VFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAE
VRENPGIYPPADVRAKLFTQKVQDPKIDRVRTRAWTKVKSG

Ligand information

• Ligand ID: 3IZ
• InChI: InChI=1S/C12H27NO4/c1-10(13)7-16-12(3)9-17-11(2)8-15-6-5-14-4/h10-12H,5-9,13H2,1-4H3/t10-,11-,12-/m1/s1
• InChIKey: JAVLCTSZYWYEEE-IJLUTSLNSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C[C@H](CO[C@H](C)CO[C@H](C)COCCOC)N
  CACTVS 3.385: COCCOC[C@@H](C)OC[C@@H](C)OC[C@@H](C)N
  CACTVS 3.385: COCCOC[CH](C)OC[CH](C)OC[CH](C)N
  OpenEye OEToolkits 2.0.7: CC(COC(C)COC(C)COCCOC)N
• Formula: C12 H27 N O4
• Name: (2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
• PDB chain: 7oyv Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7oyv Fine-tuning spermidine binding modes in the putrescine binding protein PotF.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): Q29 E50 K51 K56
• Binding residue (residue number reindexed from 1): Q1 E22 K23 K28
• Annotation score: 1

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

External links

• PDB: RCSB:7oyv, PDBe:7oyv, PDBj:7oyv
• PDBsum: 7oyv
• PubMed: 34801550
• UniProt: P31133|POTF_ECOLI Putrescine-binding periplasmic protein PotF (Gene Name=potF)