Structure of PDB 3wdr Chain A Binding Site BS04

Receptor Information
>3wdr Chain A (length=330) Species: 356864 (Symbiotic protist of Reticulitermes speratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDWNISSSPVTPSPSAGAQKLYSFLVQNFQKKIISGAMTLQGGDESAQTK
EPDWLQQNAGHRPALVGLDFMFQTGKGEEWYYNDSRFSKQVVNGAKSYWQ
KGGIPALCWHWRDPSKDTDAFYSPSSGNSATQFDADQAVKSGTAENKAIL
QDLAVIADQLQDLRDAGVAVLWRPLHEASGKWFWWGYKGADALKKLWKIE
FDYFVKERNLNNLIWVFTAGTPIEGIADWYPGDDMVDVIGMDIYATQGDH
ATQQDYFNQCKSIFKGRKIVAMSECGSVPEPDLAAPWSFFMPWYNNYCIP
EGSNPYNSLEFWKKTMSSSLVITLDNMPGW
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 chain3wdr Chain C Residue 1 [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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PDB3wdr Structural and Biochemical Analyses of Glycoside Hydrolase Family 26 beta-Mannanase from a Symbiotic Protist of the Termite Reticulitermes speratus
Resolution1.4 Å
Binding residue
(original residue number in PDB)		Q41 F43 K45
Binding residue
(residue number reindexed from 1)		Q27 F29 K31
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.78: mannan endo-1,4-beta-mannosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016985 mannan endo-1,4-beta-mannosidase activity
Biological Process
GO:0006080 substituted mannan metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3wdr, PDBe:3wdr, PDBj:3wdr
PDBsum3wdr
PubMed24570006
UniProtH7CGE2

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