Structure of PDB 5t99 Chain A Binding Site BS01

Receptor Information
>5t99 Chain A (length=757) Species: 820 (Bacteroides uniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASVTDGISFNENWRFFKGEIKGAEAISFDDDSWRKLNLPHDWAIEGPGL
PFHGTGWYRKTFIGDAQWKDKIVRIGFDGAMSEAKVWINGVKVGEHPYGY
TGFEIDITKYLKIGEENVLAVQLTPRDLSSRWYPGAGIYRNVWLRVDNKV
YIPEHGVYVTTPTVTKSKAVVQIETTVKNATFGNGKFNIRHSIINAQGET
VAILNDNVEVAAGEQGKTLAYINMLNPNIWGQKNPYMYKLKTEIYDGKDL
TDTYFTDFGIRKICFTKDGFFLNGEKIRFNGVCLHHDNGPMGAAVNVRAD
ERKLQIMKEMGVNAIRTSHNPPSPEFLDLCDRMGLVVLDEAFDEWTKAKV
DNGYHLYFDEWSKKDLTSLIMRDRNHPSVIMWSIGNEILEQSDKKKGFTV
AKYLADICRELDPTRPSTCGFNYYPAPFDNNMAQQVDIAGMNYKPGKYAE
VQRLYPDLPLYGSETSSCTSSRGVYHLPTNQVTSYDLIGPKWAYPPDIEF
HFQEMNPRFMGEFIWTGFDYLGESRSSYFGAVDLCGLPKDRFYLYQSQWT
DKPMVHILPHWNWKKGMNIPVYVYTNCYEAELFLNGKSLGKRVKGRDLTE
IMVNTFQSKYRLSWDVPFEPGELTVKAYNNLGELKAEKTIRTAGKPAQIK
LIPDRKVITADGKDLSYITVRIEDRDGNLCPEADNLVEFSVEGAGHFRAV
GNGNAATTESFIEPKRKAFSGMCMLIVQSDENKQGKMNITATSKGLKTAK
TTINVEL
Ligand information
Ligand IDGIF
InChIInChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyQPYJXFZUIJOGNX-PBXRRBTRSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[CH]1CNC[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1CNC[C@@H](O)[C@H]1O
ACDLabs 12.01OC1C(CO)CNCC1O
OpenEye OEToolkits 1.7.6C1C(C(C(CN1)O)O)CO
OpenEye OEToolkits 1.7.6C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO
FormulaC6 H13 N O3
NameD-galacto-isofagomine
ChEMBLCHEMBL1818433
DrugBank
ZINC
PDB chain5t99 Chain A Residue 901 [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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PDB5t99 Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R186 H374 E442 E519 W555 W578 F612
Binding residue
(residue number reindexed from 1)		R131 H319 E387 E464 W492 W515 F529
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R186 T401 Y503 E519 S609 F612
Catalytic site (residue number reindexed from 1) R131 T346 Y448 E464 S526 F529
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5t99, PDBe:5t99, PDBj:5t99
PDBsum5t99
PubMed29535379
UniProtA0A2D0TCC8

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