Structure of PDB 6t7g Chain BBB Binding Site BS01

Receptor Information
>6t7g Chain BBB (length=652) Species: 997887 (Bacteroides salyersiae CL02T12C01) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAERISKQSTPFVGAQIFIEPGQTQEQIEQWFKLLAESNMTTCRIRMFGK
YMKTPSGTYDFTLFDRAFKLADKYHIKVYATLFPDTEFTDVGGFKFPHSR
EHQKEVEDYIKNVVSHFSQYKNLAAWVLINEPGTPNLPFNEPFTKERFSD
WKKEHNFSEYNEKGYPVLNFEKENFIIDYHNWYLNWLANQVRLYDKQHDL
HVNPHNVFKLSGLYDFPTWRTFLNSLGGSAHASWHFGYFPRKAYTVAMSA
NAELIRSGAGELPWLMTELQGGNNLYSGANPLCPTAEEIIQWLWINFATE
AKGGIFWSFNARSTAAEAGEWAMINFKNKSSDRLIAAATIGKFITENVKM
MSNIKTLNSGISILYNHESMWVEAAQTRGKLNNGRSIGAVMCSPLSYFEA
LSETGLQANFKEIKEFDFSLNDYTDQVIILSHQIALDNKVIKQLESFVEK
GGTLIADGLTGYYDYQAHSTVVSGFALENLFGSYPIEYKIKENLFSLDFE
KDNYKLPAHLWKGTIETSKATPIMDKEGECIACINQYGKGKVFWIPSPIA
LGARESKDFSELSKLTVSLLPNKILNDNPHFDKHYKDVMMKSFKSNGTMY
SLIINKSASVQTVDIVGGKGKAFILFANKNAHSTANKLTISPEETVIIKW
KN
Ligand information
Ligand IDMVL
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/t4-,5-,6+,7+/m1/s1
InChIKeyRZRDQZQPTISYKY-JWXFUTCRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cn2c(n1)C(C(C(C2CO)O)O)O
OpenEye OEToolkits 1.7.6c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O
CACTVS 3.385OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
ACDLabs 12.01n1ccn2c1C(O)C(O)C(O)C2CO
CACTVS 3.385OC[CH]1[CH](O)[CH](O)[CH](O)c2nccn12
FormulaC8 H12 N2 O4
Name(5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL;
Mannoimidazole
ChEMBLCHEMBL1213397
DrugBank
ZINCZINC000003821680
PDB chain6t7g Chain BBB Residue 704 [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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PDB6t7g Structure and function ofBs164 beta-mannosidase fromBacteroides salyersiaethe founding member of glycoside hydrolase family GH164.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R75 V120 N159 E160 H260 W263 E297 W336 R341 E346 W350
Binding residue
(residue number reindexed from 1)		R46 V91 N130 E131 H231 W234 E268 W307 R312 E317 W321
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004565 beta-galactosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6t7g, PDBe:6t7g, PDBj:6t7g
PDBsum6t7g
PubMed31871050
UniProtI9SUA3

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