Structure of PDB 3wdu Chain B Binding Site BS01

Receptor Information
>3wdu Chain B (length=296) Species: 566408 (Paecilomyces sp. 'thermophila') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YHLVDDYGRGNGFFDKFNFFTGDDPTHGYVDYVSRDVAAGAGLIGERDGR
TYMGVDFTNPASGRGRRSVRLESKNTYEHGLIVIDLAHMPGSVCGTWPAF
WTLGTGDWPYGGEIDIIEGVNDNTFNHMVLHTSDGCTIDNDGFTGNLKTS
NCYVYAPGQDANAGCGIEATDPNSYGKGFNSIGGGIYATEITPNGISIWF
FPRGSEPGDVLGDNPNPANWDTPAAKFAGGGCDWEGKFNAQRLIFDVTFC
GDWAGNVWGIGGCASRAANCVDFVRDNPSAFAESYWLVNSLRVYAP
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 chain3wdu Chain F Residue 1 [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]
PDB3wdu Structural and mutagenetic analyses of a 1,3-1,4-beta-glucanase from Paecilomyces thermophila
Resolution2.25 Å
Binding residue
(original residue number in PDB)		W97 E118 H131 N162 W253
Binding residue
(residue number reindexed from 1)		W97 E118 H131 N162 W253
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3wdu, PDBe:3wdu, PDBj:3wdu
PDBsum3wdu
PubMed24262091
UniProtE0XN39

[Back to BioLiP]