Structure of PDB 3wdy Chain C Binding Site BS01

Receptor Information
>3wdy Chain C (length=293) Species: 566408 (Paecilomyces sp. 'thermophila') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YHLVDDYGRGNGFFDKFNFFTGDDPTHGYVDYVSRDVAAGAGLIGERDGR
TYMGVDFTNPASGRGRRSVRLESKNTYEHGLIVIDLAHMPGSVCGTWPAF
WTLGTGDWPYGGAIDIIEGVNDNTFNHMVLHTSDGCTIDNDGFTGNLKTS
NCYVYAPANAGCGIEATDPNSYGKGFNSIGGGIYATEITPNGISIWFFPR
GSEPGDVLGDNPNPANWDTPAAKFAGGGCDWEGKFNAQRLIFDVTFCGDW
AGNVWGIGGCASRAANCVDFVRDNPSAFAESYWLVNSLRVYAP
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 chain3wdy Chain G Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wdy Structural and mutagenetic analyses of a 1,3-1,4-beta-glucanase from Paecilomyces thermophila
Resolution1.94 Å
Binding residue
(original residue number in PDB)		P25 T26 R70 W101 W108
Binding residue
(residue number reindexed from 1)		P25 T26 R70 W101 W108
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.73: licheninase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0042972 licheninase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009251 glucan catabolic process
Cellular Component
GO:0005886 plasma membrane
GO:0098552 side of membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3wdy, PDBe:3wdy, PDBj:3wdy
PDBsum3wdy
PubMed24262091
UniProtE0XN39

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