Structure of PDB 6hh9 Chain C Binding Site BS03

Receptor Information

>6hh9 Chain C (length=366) Species: 536231 (Roseburia intestinalis L1-82)

YQIKYENGIANRGCLYRLKKVMDRAKAGEALNIAFLGGSITQGSLSSKPE
LCYAYHVYEWWKKTFPQADFTYINAGIGGTTSQFGVARAEADLLSKEPDF
VIIEFSVNDDSTEHFMETYEGLVRKVYTSKTKPAVLLVHNVFYNNGANAQ
LMHGRIARHYNLPAVSMQSTIYPEVVAGRIENREITPDDLHPNDAGHALV
ASVITYFLDKVKTEEPDYPAPLTKNTYEKSIRHQNSDENVVCHGFVADTS
AQRDITDCFKHGWTASKKGDSITLDVEGCNISVQYRKSVKLPAPVAEIIV
DGDAEHAVRLDANFDETWGDKLELDTILEHGENKVHKVEVRLTETHENDA
VPFYLVSVIGSSEKAH

Ligand information

• Ligand ID: BMA
• 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-RWOPYEJCSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 6hh9 Chain G Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6hh9 A pair of esterases from a commensal gut bacterium remove acetylations from all positions on complex beta-mannans.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): V109 N110 E324
• Binding residue (residue number reindexed from 1): V107 N108 E316
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity

External links

• PDB: RCSB:6hh9, PDBe:6hh9, PDBj:6hh9
• PDBsum: 6hh9
• PubMed: 32170022
• UniProt: C7G6F8