Structure of PDB 5nbs Chain A Binding Site BS02

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 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 chain5nbs 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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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)		T827 V828
Binding residue
(residue number reindexed from 1)		T812 V813
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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