Structure of PDB 2osy Chain A Binding Site BS02

Receptor Information
>2osy Chain A (length=432) Species: 1831 (Rhodococcus sp. (in: high G+C Gram-positive bacteria)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSYLKDDDGRSLILRGFNTASSAKSAPDGMPQFTEADLAREYADMGTNFV
RFLISWRSVEPAPGVYDQQYLDRVEDRVGWYAERGYKVMLDMHQDVYSGA
ITPGAGAIGNGAPAWATYMDGLPVEPQPRWELYYIQPGVMRAFDNFWNTT
GKHPELVEHYAKAWRAVADRFADNDAVVAYDLMNAPFGGSLQGPAFEAGP
LAAMYQRTTDAIRQVDQDTWVCVAPQAIGVNQGLPSGLTKIDDPRAGQQR
IAYCPHLYPGLARTLTDVTIDAWRANTAHTARVLGDVPIILGEFGLDTTL
PGARDYIERVYGTAREMGAGVSYWSSDPGPWGPYLPDGTQTLLVDTLNKP
YPRAVAGTPTEWSSTSDRLQLTIEPDAAITAPTEIYLPEAGFPGDVHVEG
ADVVGWDRQSRLLTVRTPADSGNVTVTVTPAA
Ligand information
Ligand IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain2osy Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2osy Structural and Mechanistic Analyses of endo-Glycoceramidase II, a Membrane-associated Family 5 Glycosidase in the Apo and GM3 Ganglioside-bound Forms.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K66 D137 A155 I156 W178
Binding residue
(residue number reindexed from 1)		K24 D95 A107 I108 W130
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.123: endoglycosylceramidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0047876 endoglycosylceramidase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0016042 lipid catabolic process
GO:1901136 carbohydrate derivative catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2osy, PDBe:2osy, PDBj:2osy
PDBsum2osy
PubMed17329247
UniProtO33853

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