Structure of PDB 5jug Chain A Binding Site BS06

Receptor Information
>5jug Chain A (length=168) Species: 1415550 (Streptomyces sp. NRRL B-16215) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SACPSGATCGSYTVGGLGSRKQQVRNAGGSSLDLAVAMLQTERMDTAYPY
GDNKSGDAANFGIFKQNWLMLRSACAQFGGQGAGQYDNGAALNSSLGQDV
SCLHQSQSHYGLDAWFAGHRNGASGLSSPNTADIAAYKAAVYWIKAQLDA
DSANLGNDTRFWVQVPAI
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain5jug Chain A Residue 202 [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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PDB5jug A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
Resolution0.96 Å
Binding residue
(original residue number in PDB)		L44 R165 V168 Q169 V170
Binding residue
(residue number reindexed from 1)		L39 R160 V163 Q164 V165
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.78: mannan endo-1,4-beta-mannosidase.
Gene Ontology
Molecular Function
GO:0016985 mannan endo-1,4-beta-mannosidase activity

View graph for
Molecular Function
External links
PDB RCSB:5jug, PDBe:5jug, PDBj:5jug
PDBsum5jug
PubMed28058278
UniProtA0A1L1QK16

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