Structure of PDB 6eug Chain A Binding Site BS01

Receptor Information
>6eug Chain A (length=347) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIASGKVWRDTDGNVINAHGGGILFHEGKYYWFGEHRPASGFVTEKGINC
YSSTDLYNWKSEGIALAVSEEEGHDIEKGCIMERPKVIYNAKTGKFVMWL
HLELKGQGYGPARAAVAVSDSPAGPYRFIRSGRVNPGAYPLNMTRKERKM
KWNPEEYKEWWTPKWYEAIAKGMFVKRDLKDGQMSRDMTLFVDDDGKAYH
IYSSEDNLTLQIAELADDYLSHTGKYIRIFPGGHNEAPAIFKKEGTYWMI
TSGCTGWDPNKARLLTADSMLGEWKQLPNPCVGEDADKTFGGQSTYILPL
PEKGQFFFMADMWRPKSLADSRYIWLPVQFDDKGVPFIKWMDRWNFD
Ligand information
Ligand IDGIM
InChIInChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/p+1/t4-,5-,6+,7-/m1/s1
InChIKeyRZRDQZQPTISYKY-MVIOUDGNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O
ACDLabs 10.04OCC2[n+]1ccnc1C(O)C(O)C2O
CACTVS 3.341OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]cc[n+]12
OpenEye OEToolkits 1.5.0c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O
CACTVS 3.341OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2[nH]cc[n+]12
FormulaC8 H13 N2 O4
NameGLUCOIMIDAZOLE;
(5S,6S,7R,8R)-5-(HYDROXYMETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
ChEMBL
DrugBank
ZINCZINC000103543099
PDB chain6eug Chain A Residue 401 [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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PDB6eug A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Resolution1.61 Å
Binding residue
(original residue number in PDB)		E87 R88 Y113 D191 G260 W261
Binding residue
(residue number reindexed from 1)		E83 R84 Y109 D187 G256 W257
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.73: licheninase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6eug, PDBe:6eug, PDBj:6eug
PDBsum6eug
PubMed30349080
UniProtQ8A1H8

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