Structure of PDB 8at0 Chain A Binding Site BS03

Receptor Information

>8at0 Chain A (length=341) Species: 83333 (Escherichia coli K-12)

QKTLHIYNWSDYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTG
FDLVVPSASFLERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNK
FAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVS
FLDAPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQ
YINDLANGDICVAIGWAGKVWQASNRAKEAKNGVNVSFSIPKEGAMAFFD
VFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAE
VRENPGIYPPADVRAKLFTLKVQDPKIDRVRTRAWTKVKSG

Ligand information

• Ligand ID: JFN
• InChI: InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m1/s1
• InChIKey: NXMXETCTWNXSFG-SCSAIBSYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: CC(COC)N
  CACTVS 3.385: COC[C@@H](C)N
  CACTVS 3.385: COC[CH](C)N
  OpenEye OEToolkits 2.0.6: C[C@H](COC)N
  ACDLabs 12.01: COCC(C)N
• Formula: C4 H11 N O
• Name: (2R)-1-methoxypropan-2-amine;
  jeffamine
• ZINC: ZINC000004862149
• PDB chain: 8at0 Chain A Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8at0 A fluorescent biosensor for the visualization of Agmatine
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): K287 K289 D290
• Binding residue (residue number reindexed from 1): K259 K261 D262
• 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:8at0, PDBe:8at0, PDBj:8at0
• PDBsum: 8at0
• UniProt: P31133|POTF_ECOLI Putrescine-binding periplasmic protein PotF (Gene Name=potF)