Structure of PDB 5i79 Chain A Binding Site BS01

Receptor Information
>5i79 Chain A (length=302) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFEWFGSNESGAEFGTNIPGVWGTDYIFPDPSAISTLIDKGMNFFRVQFM
MERLLPDSMTGSYDEEYLANLTTVIKAVTDGGAHALVDPHNYGRYNGEII
SSTSDFQTFWENLAGQYKDNDLVMFDTNNEYHDMDQDLVLNLNQAAINGI
RAAGATSQYIFVEGNSWTGAWTWVDVNDNMKNLTDPEDKIVYEMHQYLDS
DGSGTSETCVSETIGKERVTEATQWLKDNKKVGFIGAYAGGSNDVCRSAV
SGMLEYMANNTDVWKGASWWAAGPWWGDYIFSLEPPDGTAYTGMLDILEA
YL
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 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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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)		H120 Y122 E160 Y227 S233 G234 W300
Binding residue
(residue number reindexed from 1)		H90 Y92 E130 Y197 S203 G204 W270
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

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Molecular Function
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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)

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