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Structure of PDB 5agd Chain B Binding Site BS03

Receptor Information
>5agd Chain B (length=344) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHSSASDGDTAMKAFNDTFWDPNAKMFWKDSKREKHQDFWVEAELWE
LVMDAYQHTSDPALKAELKTQIDDVYDGTVAKYGQDWTNNPFNDNIMWWA
MGSARAYQITGNPRYLEAARDHFDFVYDTQWDEEFANGGIWWLNSDHNTK
NACINFPAAQAALYLYDITKDEHYLNAATKIFRWGKTMLTDGNGKVFDRI
EIEHGAVPDATHYNQGTYIGSAVGLYKATGNAVYLDDAVKAAKFTKNHLV
DSNGVLNYEGPNGDLKGGKTILMRNLAHLQKTLDETGQYPEFSAEFDEWL
AFNIEMAWSHQNSDHIVDGNWAGQLLSGTYESWSSAAAVQALNG
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 chain5agd Chain D 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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PDB5agd Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Resolution1.2 Å
Binding residue
(original residue number in PDB)		W172 N181 C183 D228 Y243
Binding residue
(residue number reindexed from 1)		W142 N151 C153 D198 Y213
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.101: mannan endo-1,6-alpha-mannosidase.
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Biological Process
External links

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