Structure of PDB 8ic1 Chain B Binding Site BS01

Receptor Information

>8ic1 Chain B (length=479) Species: 69365 (Microbacterium arabinogalactanolyticum)

TTSRTPATVVEKLTGPDAPNNTWGRWDIKATDLGIMWDDGAGHVLTAFGN
TFGNSWTGPGGGAPPNGNWRSNVLVRSSDGDLADGMLFDWAAQGPQGVAR
EIIPSKKINGVEITTIPTTGISVGKRQYLGFMSVKQWGPPGVWDTNFAGI
AYSDDGGGTWKVSDTRWENADGHDPFQMQAWVQKGGTIYVFGTQNGRNGP
ASVAKVPASKLLDKSAFRYWNGTDWSRKESDAVPVMDAPMSEMSVQYDAY
SKRFLMMTLSGEDIIMRTATAPEGPWTPAQTVASSTDYPALYGGYFHPWN
KDGEIYFTMSQWNPYNVYLMRLRIDRDGNIIDPNLVTDASFERSTTLGDG
TNGTWAAKPNSGIDNAPAAGFTGDHRAFVRYNSGWRDIWQDVAVERGAKY
RLTGFLRTSVNSDNGFFGARTLDGVPIGEINFHSVGAWTRFTVEFDAGDR
DAVQVFGGVWTNSGDIWMQLDDVSLTKVR

Ligand information

• Ligand ID: BXY
• InChI: InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m1/s1
• InChIKey: HMFHBZSHGGEWLO-MBMOQRBOSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(OC(O)C1O)CO
• Formula: C5 H10 O5
• Name: alpha-D-arabinofuranose;
  alpha-D-arabinose;
  D-arabinose;
  arabinose
• DrugBank: DB01936
• ZINC: ZINC000003581471
• PDB chain: 8ic1 Chain G Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ic1 Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D33 G50 N51 I117 W138
• Binding residue (residue number reindexed from 1): D32 G49 N50 I116 W137
• Annotation score: 4

External links

• PDB: RCSB:8ic1, PDBe:8ic1, PDBj:8ic1
• PDBsum: 8ic1
• PubMed: 37726269