Structure of PDB 2y4s Chain A Binding Site BS07

Receptor Information
>2y4s Chain A (length=863) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FMPDARAYWVTSDLIAWNVGSVCLYASRAAAMSLQGYDSKVELQPESAGL
PETVTQKFPFISSYRAFRVPSSVDVASLVKCQLVVASDVTGLQLPGVLDD
MFAYTGPLGAVFSEDSVSLHLWAPTAQGVSVCFFDGPAGPALETVQLKES
NGVWSVTGPREWENRYYLYEVDVYHPTKAQVLKCLAGDPYARSLSANGAR
TWLVDINNETLKPASWDELADEKPKLDSFSDITIYELHIRDFSAHDGTVD
SDSRGGFRAFAYQASAGMEHLRKLSDAGLTHVHLLPSFHFAGVDDIKSNW
KFVDECELATFPPGSDMQQAAVVAIQEEDPYNWGYNPVLWGVPKGSYASD
PDGPSRIIEYRQMVQALNRIGLRVVMDVVYNHLDSSGPCGISSVLDKIVP
GYYVRRDTNGQIENSAAMNNTASEHFMVDRLIVDDLLNWAVNYKVDGFRF
DLMGHIMKRTMMRAKSALQSLTTDAHGVDGSKIYLYGEGWDFAEVARNQR
GINGSQLNMSGTGIGSFNDRIRDAINGGNPFGNPLQQGFNTGLFLEPNGF
YQGNEADTRRSLATYADQIQIGLAGNLRDYVLISHTGEAKKGSEIHTFDG
LPVGYTASPIETINYVSAHDNETLFDVISVKTPMILSVDERCRINHLASS
MMALSQGIPFFHAGDEILRSKSIDRDSYNSGDWFNKLDFTYETNNWGVGL
PPSEKNEDNWPLMKPRLENPSFKPAKGHILAALDSFVDILKIRYSSPLFR
LSTANDIKQRVRFHNTGPSLVPGVIVMGIEDARGESPEMAQLDTNFSYVV
TVFNVCPHEVSMDIPALASMGFELHPVQVNSSDTLVRKSAYEAATGRFTV
PGRTVSVFVEPRC
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 chain2y4s Chain A Residue 1891 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2y4s Crystal Structure of an Essential Enzyme in Seed Starch Degradation: Barley Limit Dextrinase in Complex with Cyclodextrins.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F324 V325 D351 G703 D704 W705
Binding residue
(residue number reindexed from 1)		F302 V303 D329 G681 D682 W683
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) N197 H289 F290 K344 D451 E488 D620
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:2y4s, PDBe:2y4s, PDBj:2y4s
PDBsum2y4s
PubMed20863834
UniProtQ9S7S8

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