Structure of PDB 5jug Chain A Binding Site BS03

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 IDBMA
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-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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
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
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain5jug Chain B Residue 3 [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)		Q45 N65 H124 R125 Y142 A172 I173
Binding residue
(residue number reindexed from 1)		Q40 N60 H119 R120 Y137 A167 I168
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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