Structure of PDB 2y4s Chain A Binding Site BS01

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 IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain2y4s Chain B Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		F514 D541 R544 F553
Binding residue
(residue number reindexed from 1)		F492 D519 R522 F531
Annotation score4
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2y4s, PDBe:2y4s, PDBj:2y4s
PDBsum2y4s
PubMed20863834
UniProtQ9S7S8

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