Structure of PDB 3rjy Chain A Binding Site BS01

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 401 [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)		N51 W61 W240
Binding residue
(residue number reindexed from 1)		N18 W28 W207
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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