Structure of PDB 2y5e Chain A Binding Site BS02

Receptor Information
>2y5e Chain A (length=866) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FMPDARAYWVTSDLIAWNVGESVCLYASRAAAMSLIQGYDSKVELQPESA
GLPETVTQKFPFISSYRAFRVPSSVDVASLVKCQLVVASFDVTGLQLPGV
LDDMFAYTGPLGAVFSEDSVSLHLWAPTAQGVSVCFFDGPAGPALETVQL
KESNGVWSVTGPREWENRYYLYEVDVYHPTKAQVLKCLAGDPYARSLSAN
GARTWLVDINNETLKPASWDELADEKPKLDSFSDITIYELHIRDFSAHDG
TVDSDSRGGFRAFAYQASAGMEHLRKLSDAGLTHVHLLPSFHFAGVDDIK
SNWKFVDECELATFPPGSDMQQAAVVAIQEEDPYNWGYNPVLWGVPKGSY
ASDPDGPSRIIEYRQMVQALNRIGLRVVMDVVYNHLDSSGPCGISSVLDK
IVPGYYVRRDTNGQIENSAAMNNTASEHFMVDRLIVDDLLNWAVNYKVDG
FRFDLMGHIMKRTMMRAKSALQSLTTDAHGVDGSKIYLYGEGWDFAEVAR
NQRGINGSQLNMSGTGIGSFNDRIRDAINGGNPFGNPLQQGFNTGLFLEP
NGFYQGNEADTRRSLATYADQIQIGLAGNLRDYVLISHTGEAKKGSEIHT
FDGLPVGYTASPIETINYVSAHDNETLFDVISVKTPMILSVDERCRINHL
ASSMMALSQGIPFFHAGDEILRSKSIDRDSYNSGDWFNKLDFTYETNNWG
VGLPPSEKNEDNWPLMKPRLENPSFKPAKGHILAALDSFVDILKIRYSSP
LFRLSTANDIKQRVRFHNTGPSLVPGVIVMGIEDARGESPEMAQLDTNFS
YVVTVFNVCPHEVSMDIPALASMGFELHPVQVNSSDTLVRKSAYEAATGR
FTVPGRTVSVFVEPRC
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain2y5e Chain A Residue 1886 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2y5e Crystal Structure of an Essential Enzyme in Seed Starch Degradation: Barley Limit Dextrinase in Complex with Cyclodextrins.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		F324 V325 D351 G703 D704
Binding residue
(residue number reindexed from 1)		F305 V306 D332 G684 D685
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N219 H311 F312 K366 D473 E510 D642
Catalytic site (residue number reindexed from 1) N200 H292 F293 K347 D454 E491 D623
Enzyme Commision number 3.2.1.41: pullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0051060 pullulanase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2y5e, PDBe:2y5e, PDBj:2y5e
PDBsum2y5e
PubMed20863834
UniProtO48541

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