Structure of PDB 5t9g Chain D Binding Site BS01

Receptor Information
>5t9g Chain D (length=811) Species: 820 (Bacteroides uniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDFNNGWKFTLSDSVCYSFVNYNPSSWKTVNLPHDWSVDLPFESTAEGCT
GFLKGGIGWYSKTFDTPDNFVDKKCYIVFDGVYNNSEYWINGRKLGFHPY
GYSPFFYDISDYLNPKGQENRISVRIDHSRYADSRWYTGSGIYRETQLIF
TDKLHIPVWGTFVTTPVVSSERATVNIEVRVKNDYSGPRAGEVRTSYFDS
KNKKVGEKLTSFLIEAGKEMKINQSVEISNPSLWDVDSPSMYLAKSEILV
DGNVVDTKETPFGIRSIKFDAKKGFFLNGKNMKIKGVCLHHDASMIGAAL
VEDVWRRRLQTLKDGGCNAIRLSHNPGADAFLELCDEMGFLVQEEFFDEW
DYPKDKRLNMDEQSIDYITRGYCEYFQEWAERDLKNVMLRSRNHPCIFQW
SIGNEIEWTYKGCKESTGFFSYFWNQPPYSTQRIREEWAKQPKQTYDIGR
TAKKLAAWTREMDTTRPVTANCILPSISYETGYIDALDVAGFSYRRVMYD
YAHKNYPDKPAMGTENLGQWHEWKAVIERDYIPGMFIWTGVDYLGEVGTK
GREWPQRAIGCGLLDLAGFEKPSFHMMKSLWTDAPFIAIYSQTANKSSYV
EKDGKFTDKDPKKPWTQRLWVWEDVNSHWNYTKGEKVVVEIYSNCDEIEL
FQNGKSLGKRFLKDFEDHIYKWSVDFKDGNIVAKGKKNGKKTTSAIYTTK
ETNSIKLSVDKVAVDANNTDVIHVTAQLIDRNGRNISWEEKEITFNIGGN
YRLLGVENGDHLNVLNYKSNTVKTYKGRALLVLQATDKAGILNINANSGS
ISSNDLKVEVK
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 chain5t9g Chain D 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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PDB5t9g Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R166 H355 E436 E552 W575 E583
Binding residue
(residue number reindexed from 1)		R135 H324 E405 E515 W538 E546
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R166 D382 Y536 E552 C598
Catalytic site (residue number reindexed from 1) R135 D351 Y499 E515 C561
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:5t9g, PDBe:5t9g, PDBj:5t9g
PDBsum5t9g
PubMed29535379
UniProtA0A2D0TCC9

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