Structure of PDB 5dte Chain A Binding Site BS01

Receptor Information

>5dte Chain A (length=286) Species: 339671 (Actinobacillus succinogenes 130Z)

KPQIALLMKTLSNEYFISMRQGAEETAKQKDIDLIVQVAEKEDSTEQLVG
LVENMIAKKVDAIIVTPNDSIAFIPAFQKAEKAGIPIIDLDVRLDAKAAE
AAGLKFNYVGVDNFNGGYLEAKNLAEAIGKKGNVAILEGIPGVDNGEQRK
GGALKAFAEYPDIKIVASQSANWETEQALNVTTNILTANPNINGIFAAND
NMAIGAVTAVENAGLAGKVLVSGYDGIPLAIEYVKQGKMQNTIDQLPKKQ
VAIAIEHALKQINKQEIPSVYYVDPVVVDKEQSKNY

Ligand information

• Ligand ID: ALL
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-QZABAPFNSA-N
• SMILES:
  ACDLabs 12.01: C1(C(C(C(C(CO)O1)O)O)O)O
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O
  CACTVS 3.385: OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O
  CACTVS 3.385: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O6
• Name: beta-D-allopyranose;
  beta-D-allose;
  D-allose;
  allose;
  D-ALLOPYRANOSE
• ZINC: ZINC000004095659
• PDB chain: 5dte Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5dte Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): K36 N40 Y42 D118 N172 R176 W200 D252
• Binding residue (residue number reindexed from 1): K9 N13 Y15 D91 N145 R149 W173 D225
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.6.3.17: Transferred entry: 7.5.2.8.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0030246 carbohydrate binding

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:5dte, PDBe:5dte, PDBj:5dte
• PDBsum: 5dte
• UniProt: A6VKG5