Structure of PDB 5ols Chain A Binding Site BS02

Receptor Information
>5ols Chain A (length=425) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTYYMDPEGSDSNPGTSDKPFATLVKVQEVVVAGDVVYINPGTYVVPANQ
VPMTTTNSGLYHCVFHMNKSGEAGKPISYLANPNKQGRPIFDLSQVKPKD
QRITVFYVTGSNLYLKGFDVIGTQVTITGHTQSECFRIVKGANNNKFEDL
RTHDGMAIGFYLLGGSNNHILNCDAYNNYDSVSEGGKGGNVDGFGGHINS
SSVGEGKGTGNVFEGCRAWYNSDDGFDLINCFEAVKIINCWSFLNGYKPG
TKEVAGDGTGFKAGGYGMAADKLPAIPSVIPQHEVRNSLAYYNRLRGFYA
NHHLGGIIFESNTAVNSGENYNMTNRESPLALPPTDVNGYDHMVKNNLSL
VTRSGSKHIVMVNRAKSEVSNNSFDGSEEVIETDFISLEEAELMRDRKPN
GDLPDVNFGKLTTDAELRFWGMGCF
Ligand information
Ligand IDADA
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
InChIKeyAEMOLEFTQBMNLQ-BKBMJHBISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
CACTVS 3.341O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
FormulaC6 H10 O7
Namealpha-D-galactopyranuronic acid;
alpha-D-galacturonic acid;
D-galacturonic acid;
galacturonic acid;
ALPHA D-GALACTURONIC ACID
ChEMBL
DrugBankDB03511
ZINCZINC000004228259
PDB chain5ols Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5ols Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R125 H153
Binding residue
(residue number reindexed from 1)		R102 H130
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D280 K285
Catalytic site (residue number reindexed from 1) D257 K262
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5ols, PDBe:5ols, PDBj:5ols
PDBsum5ols
PubMed29255254
UniProtQ8A051

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