Structure of PDB 5nbs Chain A Binding Site BS08

Receptor Information
>5nbs Chain A (length=842) Species: 367110 (Neurospora crassa OR74A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLAYSEPHYPSPWMDPKAIGWEEAYEKAKAFVSQLTLLEKVNLTTGIGWG
AEQCVGQTGAIPRLGLKSMCMQDAPLAIRGTDYNSVFPAGVTTAATFDRG
LMYKRGYALGQEAKGKGVTVLLGPVAGPLGRAPEGGRNWEGFSTDPVLTG
IAMAETIKGTQDAGVVACAKHFIGNEQEHFRQVGESQDYGYNISETLSSN
IDDKTMHEMYLWPFVDAIRAGVGSFMCAYTQANNSYSCQNSKLLNNLLKQ
ENGFQGFVMSDWQAHHSGVASAAAGLDMSMPGDTMFNSGRSYWGTNLTLA
VLNGTVPQWRIDDMAMRIMAAFFKVGQTVEDQEPINFSFWTLDTYGPLHW
AARKDYQQINWHVNVQGDHGSLIREIAARGTVLLKNTGSLPLKKPKFLAV
IGEDAGPNPLGPNGCADNRCNNGTLGIGWGSGTGNFPYLVTPDQALQARA
VQDGSRYESVLRNHAPTEIKALVSQQDATAIVFVNANSGEGFIEIDGNKG
DRLNLTLWNEGDALVKNVSSWCNNTIVVLHTPGPVLLTEWYDNPNITAIL
WAGMPGQESGNSITDVLYGRVNPSGRTPFTWGATRESYGTDVLYEPNNGN
EAPQLDYTEGVFIDYRHFDKANASVLYEFGFGLSYTTFEYSNLKIEKHQV
GEYTPTTGQTEAAPTFGNFSESVEDYVFPAAEFPYVYQFIYPYLNSTDMS
ASSGDAQYGQTAEEFLPPKANDGSAQPLLRSSGLHHPGGNPALYDIMYTV
TADITNTGKVAGDEVPQLYVSLGGPEDPKVVLRGFDRLRVEPGEKVQFKA
VLTRRDVSSWDTVKQDWVITEYAKKVYVGPSSRKLDLEEVLP
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 chain5nbs Chain H Residue 6 [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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PDB5nbs Structural studies of a glycoside hydrolase family 3 beta-glucosidase from the model fungus Neurospora crassa.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H479 A480 P481 T482 E483
Binding residue
(residue number reindexed from 1)		H464 A465 P466 T467 E468
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0009251 glucan catabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5nbs, PDBe:5nbs, PDBj:5nbs
PDBsum5nbs
PubMed30511673
UniProtQ7RWP2

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