Structure of PDB 5olq Chain B Binding Site BS01

Receptor Information

>5olq Chain B (length=426) Species: 818 (Bacteroides thetaiotaomicron)

GKTYYMDPEGSDSNPGTSDKPFATLVKVQEVVVAGDVVYINPGTYVVPAN
QVPMTTTNSGLYHCVFHMNKSGEAGKPISYLANPNKQGRPIFDLSQVKPK
DQRITVFYVTGSNLYLKGFDVIGTQVTITGHTQSECFRIVKGANNNKFED
LRTHDGMAIGFYLLGGSNNHILNCDAYNNYDSVSEGGKGGNVDGFGGHIN
SSSVGEGKGTGNVFEGCRAWYNSDDGFDLINCFEAVKIINCWSFLNGYKP
GTKEVAGDGTGFKAGGYGMAADKLPAIPSVIPQHEVRNSLAYYNRLRGFY
ANHHLGGIIFESNTAVNSGENYNMTNRESPLALPPTDVNGYDHMVKNNLS
LVTRSGSKHIVMVNRAKSEVSNNSFDGSEEVIETDFISLEEAELMRDRKP
NGDLPDVNFGKLTTDAELRFWGMGCF

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5olq Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5olq Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
• Resolution: 1.48 Å
• Binding residue (original residue number in PDB): D215 D246 D247 D250
• Binding residue (residue number reindexed from 1): D193 D224 D225 D228
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D280 K285
• Catalytic site (residue number reindexed from 1): D258 K263
• Enzyme Commision number: 3.2.1.22: alpha-galactosidase.
  3.2.1.n1: blood group B branched chain alpha-1,3-galactosidase.

Gene Ontology

Molecular Function

• GO:0004557 alpha-galactosidase activity
• GO:0016829 lyase activity
• GO:0016837 carbon-oxygen lyase activity, acting on polysaccharides
• GO:0046872 metal ion binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:5olq, PDBe:5olq, PDBj:5olq
• PDBsum: 5olq
• PubMed: 29255254
• UniProt: Q8A051