Structure of PDB 4yzt Chain A Binding Site BS01

Receptor Information
>4yzt Chain A (length=512) Species: 1402 (Bacillus licheniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITPADLLENMSPGWNLGNTLDAVPTEGSWNNPPVREHTFDDIRDAGFKSV
RIPVTWDSHIGSAPEYPIDTDWMNRVEEVTDWALEREFYVVLNIHHDSWL
WISRMGNSQQETLDKLGKVWKQIAERFKNKSERLLFEIVNEPTGMSAYQM
NLLNREMLNIIRSTGGKNGQRLVIVGGLEDNKDELLHSFEPPDDDRIVLT
YHYYSPWDYVSNWWGRTTWGSAAEISEMEEDIKPVYEKFVREGYPVIIGE
YGTLGANEKHSKWLYHDTFVRLAHKYQMVPMWWDNGNDQFDRAERQWRDP
VVKEIVIQAGRGVPNAIIKPADLFIKKGQSISDQTVDIQLNGNVLTGIYQ
KSEPLKEGSDYTVDNAGKTVSIKASCLAKLLGQPGVKAQLTFTFHKGASQ
VMDIILYDDPKLEKSEFTISQSAISGDLKIPASLNGTKLATVKGVVDSTG
RPVLEEVWSWTPYLNYDEDFYEKDGDLYLKERVLKYLKSDSTFTFELWPK
GVEAVVKVKITP
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 chain4yzt Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yzt Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Resolution1.665 Å
Binding residue
(original residue number in PDB)		H113 N158 E159 E268 W301
Binding residue
(residue number reindexed from 1)		H95 N140 E141 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:0008810 cellulase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0009251 glucan catabolic process
GO:0030245 cellulose 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:4yzt, PDBe:4yzt, PDBj:4yzt
PDBsum4yzt
PubMed27032335
UniProtQ65JI7

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