Structure of PDB 1a0t Chain Q Binding Site BS02

Receptor Information

>1a0t Chain Q (length=413)

SGFEFHGYARSGVIMNDSGASTKSGAYITPAGETGGAIGRLGNQADTYVE
MNLEHKQTLDNGATTRFKVMVADGQTSYNDWTASTSDLNVRQAFVELGNL
PTFAGPFKGSTLWAGKRFDRDNFDIHWIDSDVVFLAGTGGGIYDVKWNDG
LRSNFSLYGRNFGDIDDSSNSVQNYILTMNHFAGPLQMMVSGLRAKDNDE
RKDSNGNLAKGDAANTGVHALLGLHNDSFYGLRDGSSKTALLYGHGLGAE
VKGIGSDGALRPGADTWRIASYGTTPLSENWSVAPAMLAQRSKDRYADGD
SYQWATFNLRLIQAINQNFALAYEGSYQYMDLKPEGYNDRQAVNGSFYKL
TFAPTFKVGSIGDFFSRPEIRFYTSWMDWSKKLNNYASDDALGSDGFNSG
GEWSFGVQMETWF

Ligand information

• Ligand ID: FRU
• InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: RFSUNEUAIZKAJO-ARQDHWQXSA-N
• SMILES:
  ACDLabs 10.04: OC1C(O)C(OC1(O)CO)CO
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
  CACTVS 3.341: OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(CO)O)O)O)O
  CACTVS 3.341: OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
• Formula: C6 H12 O6
• Name: beta-D-fructofuranose;
  beta-D-fructose;
  D-fructose;
  fructose
• ChEMBL: CHEMBL604608
• ZINC: ZINC000001529270
• PDB chain: 1a0t Chain E Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1a0t Structure of the sucrose-specific porin ScrY from Salmonella typhimurium and its complex with sucrose.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): E120 R161 F188 D201 F204
• Binding residue (residue number reindexed from 1): E50 R91 F118 D131 F134
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0015288 porin activity

Biological Process

• GO:0034219 carbohydrate transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:1a0t, PDBe:1a0t, PDBj:1a0t
• PDBsum: 1a0t
• PubMed: 9437428
• UniProt: P22340|SCRY_SALTM Sucrose porin (Gene Name=scrY)