Structure of PDB 5i79 Chain B Binding Site BS02

Receptor Information
>5i79 Chain B (length=304) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFVFEWFGSNESGAEFGTNIPGVWGTDYIFPDPSAISTLIDKGMNFFRVQ
FMMERLLPDSMTGSYDEEYLANLTTVIKAVTDGGAHALVDPHNYGRYNGE
IISSTSDFQTFWENLAGQYKDNDLVMFDTNNEYHDMDQDLVLNLNQAAIN
GIRAAGATSQYIFVEGNSWTGAWTWVDVNDNMKNLTDPEDKIVYEMHQYL
DSDGSGTSETCVSETIGKERVTEATQWLKDNKKVGFIGAYAGGSNDVCRS
AVSGMLEYMANNTDVWKGASWWAAGPWWGDYIFSLEPPDGTAYTGMLDIL
EAYL
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5i79 Chain D Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5i79 Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Resolution2.35 Å
Binding residue
(original residue number in PDB)		E43 F44
Binding residue
(residue number reindexed from 1)		E15 F16
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5i79, PDBe:5i79, PDBj:5i79
PDBsum5i79
PubMed27154222
UniProtO74706|EGLB_ASPNG Endo-beta-1,4-glucanase B (Gene Name=eglB)

[Back to BioLiP]