Structure of PDB 6euh Chain B Binding Site BS01

Receptor Information
>6euh Chain B (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 IDDGJ
InChIInChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1
InChIKeyLXBIFEVIBLOUGU-DPYQTVNSSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC1C(NCC(O)C1O)CO
OpenEye OEToolkits 1.7.2C1C(C(C(C(N1)CO)O)O)O
OpenEye OEToolkits 1.7.2C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O
CACTVS 3.370OC[CH]1NC[CH](O)[CH](O)[CH]1O
CACTVS 3.370OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
FormulaC6 H13 N O4
Name(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;
1-deoxygalactonojirimycin
ChEMBLCHEMBL110458
DrugBankDB05018
ZINCZINC000001636704
PDB chain6euh Chain B 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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PDB6euh A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E87 R88 D191 W261
Binding residue
(residue number reindexed from 1)		E82 R83 D186 W256
Annotation score1
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:6euh, PDBe:6euh, PDBj:6euh
PDBsum6euh
PubMed30349080
UniProtQ8A1H8

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