Structure of PDB 8wl7 Chain A Binding Site BS01

Receptor Information

>8wl7 Chain A (length=288) Species: 550 (Enterobacter cloacae)

AAEYAVVLKTLSNPFWVDMKKGIEDEAKTLGVSVDIFASPSEGDFQSQLQ
LFEDLSNKKYKGIAFAPLSSVNLVMPVARAWQKGLYLVNLDEKIDMDNLK
KAGGNVEGFVTTDNVAVGAKGADFIINKLGAEGGEVAIIEGKAGNASGEA
RRNGATEAFKKANQIKLVASQPADWDRIKALDVATNVLQRNPNLKAFYCA
NDTMAMGVAQAVANAGKIGKVLVVGTDGIPEARKMVEAGQMTATVAQNPA
DIGATGLKLMVDAAKTGKVIPLEKTPEFKLVDSILVTK

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: 8wl7 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8wl7 X-ray structures of Enterobacter cloacae allose-binding protein in complexes with monosaccharides demonstrate its unique recognition mechanism for high affinity to allose.
• Resolution: 1.74 Å
• Binding residue (original residue number in PDB): K32 N36 F38 E65 D114 S170 R174 W198 N224 D250 Q270
• Binding residue (residue number reindexed from 1): K9 N13 F15 E42 D91 S147 R151 W175 N201 D227 Q247
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:8wl7, PDBe:8wl7, PDBj:8wl7
• PDBsum: 8wl7
• PubMed: 37820454
• UniProt: A0A9W3L9M6