Structure of PDB 8wl9 Chain A Binding Site BS01

Receptor Information

>8wl9 Chain A (length=288) Species: 550 (Enterobacter cloacae)

AAEYAVVLKTLSNPFWVDMKKGIEDEAKTLGVSVDIFASPSEGDFQSQLQ
LFEDLSNKKYKGIAFAPLSSVNLVMPVARAWQKGLYLVNLDEKIDMDNLK
KAGGNVEGFVTTDNVAVGAKGADFIINKLGAEGGEVAIIEGKAGNASGEA
RRNGATEAFKKANQIKLVASQPADWDRIKALDVATNVLQRNPNLKAFYCA
NDTMAMGVAQAVANAGKIGKVLVVGTDGIPEARKMVEAGQMTATVAQNPA
DIGATGLKLMVDAAKTGKVIPLEKTPEFKLVDSILVTK

Ligand information

• Ligand ID: RIP
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
• InChIKey: SRBFZHDQGSBBOR-TXICZTDVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-D-ribopyranose;
  beta-D-ribose;
  D-ribose;
  ribose;
  RIBOSE(PYRANOSE FORM)
• ChEMBL: CHEMBL1159662
• DrugBank: DB04286
• ZINC: ZINC000004097544
• PDB chain: 8wl9 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8wl9 X-ray structures of Enterobacter cloacae allose-binding protein in complexes with monosaccharides demonstrate its unique recognition mechanism for high affinity to allose.
• Resolution: 1.93 Å
• Binding residue (original residue number in PDB): N36 F38 D114 R174 W198 N224 D250 Q270
• Binding residue (residue number reindexed from 1): N13 F15 D91 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:8wl9, PDBe:8wl9, PDBj:8wl9
• PDBsum: 8wl9
• PubMed: 37820454
• UniProt: A0A9W3L9M6