Structure of PDB 6eui Chain A Binding Site BS02

Receptor Information
>6eui Chain A (length=345) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IASGKVWRDTDGNVINAHGGGILFHEGKYYWFGEHRPASGFVTEKGINCY
SSTDLYNWKSEGIALAVSEEEGHDIEKGCIMERPKVIYNAKTGKFVMWLH
LELKGQGYGPARAAVAVSDSPAGPYRFIRSGRVNPGAYPLNMTRKERKMK
WNPEEYKEWWTPKWYEAIAKGMFVKRDLKDGQMSRDMTLFVDDDGKAYHI
YSSEDNLTLQIAELADDYLSHTGKYIRIFPGGHNEAPAIFKKEGTYWMIT
SGCTGWDPNKARLLTADSMLGEWKQLPNPCVGEDADKTFGGQSTYILPLP
EKGQFFFMADMWRPKSLADSRYIWLPVQFDDKGVPFIKWMDRWNF
Ligand information
Ligand IDGAL
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6eui Chain A Residue 402 [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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PDB6eui A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Resolution1.76 Å
Binding residue
(original residue number in PDB)
E87 R88 Y113 D191 G260 W261 Q297
Binding residue
(residue number reindexed from 1)
E82 R83 Y108 D186 G255 W256 Q292
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function

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Biological Process
External links
PDB RCSB:6eui, PDBe:6eui, PDBj:6eui
PDBsum6eui
PubMed30349080
UniProtQ8A1H8

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