Structure of PDB 3rjy Chain A Binding Site BS03

Receptor Information
>3rjy Chain A (length=310) Species: 381764 (Fervidobacterium nodosum Rt17-B1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSAFEYNKMIGHGINMGNALEAPVEGSWGVYIEDEYFKIIKERGFDSVRI
PIRWSAHISEKYPYEIDKFFLDRVKHVVDVALKNDLVVIINCHHFEELYQ
APDKYGPVLVEIWKQVAQAFKDYPDKLFFEIFNEPAQNLTPTKWNELYPK
VLGEIRKTNPSRIVIIDVPNWSNYSYVRELKLVDDKNIIVSFHYYEPFNF
THQGAEWVSPTLPIGVKWEGKDWEVEQIRNHFKYVSEWAKKNNVPIFLGE
FGAYSKADMESRVKWTKTVRRIAEEFGFSLAYWEFCAGFGLYDRWTKTWI
EPLTTSALGK
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](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
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain3rjy Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rjy Crystal structure of hyperthermophilic Endo-beta-1,4-glucanase: Implications for catalytic mechanism and thermostability.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y228 H235 W240 E283 W316
Binding residue
(residue number reindexed from 1)		Y195 H202 W207 E250 W283
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
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:0009251 glucan catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0009986 cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3rjy, PDBe:3rjy, PDBj:3rjy
PDBsum3rjy
PubMed22128157
UniProtA7HNC0

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