Structure of PDB 5ngl Chain C Binding Site BS01

Receptor Information
>5ngl Chain C (length=452) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDVAIYTTTSSLTRDLTRDAVNFSTTITLNPAEQYQTMDGFGAAITGSTC
YNLLLMKPADRHAFLTETFSDKDGFGFSYIRISIGCSDFSLSEYTCCDTK
GIENFALQSEEKDYILPILKEILAINPSIKVIAAPWTCPKWMKVKSLTDR
TPLDSWTNGQLNPDYYQDYATYFVKWIQAFKAEGIDIYAVTPQNEPLNRG
NSASLYMEWEEQRDFVKTALGPQMKAAGLSTKIYAFDHNYNYDNIESQKN
YPGKIYEDAAASQYLAGAAYHNYGGNREELLNIHQAYPEKELLFTETSIG
TWNSGRDLSKRLMEDMEEVALGTINNWCKGVIVWNLMLDNDRGPNREGGC
QTCYGAVDINNSDYKTIIRNSHYYIIAHLSSVVKPGAVRIATTGYTDNGI
TCSAFENTDGTYAFVLINNNEKSKKITVSDGQRHFAYDVPGKSVTSYRWA
KS
Ligand information
Ligand IDNOJ
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-JGWLITMVSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC1C(NCC(O)C1O)CO
OpenEye OEToolkits 1.7.0C1C(C(C(C(N1)CO)O)O)O
OpenEye OEToolkits 1.7.0C1[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
Name1-DEOXYNOJIRIMYCIN;
MORANOLINE
ChEMBLCHEMBL307429
DrugBankDB03206
ZINCZINC000003794714
PDB chain5ngl Chain C Residue 501 [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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PDB5ngl A Bacteroidetes locus dedicated to fungal 1,6-beta-glucan degradation: Unique substrate conformation drives specificity of the key endo-1,6-beta-glucanase.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D131 N237 E238 N244 Y316 E339 W377
Binding residue
(residue number reindexed from 1)		D88 N194 E195 N201 Y273 E296 W334
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E238 E339 S341 D358
Catalytic site (residue number reindexed from 1) E195 E296 S298 D315
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004348 glucosylceramidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0006665 sphingolipid metabolic process
GO:0006680 glucosylceramide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ngl, PDBe:5ngl, PDBj:5ngl
PDBsum5ngl
PubMed28461332
UniProtQ8A2J3

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