Structure of PDB 4j3s Chain A Binding Site BS04

Receptor Information
>4j3s Chain A (length=854) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDARAYWVTSDLIAWNVGSVCLYASRAAAMQGYDSKVELQPESAGLPETV
TQKFPFISSYRAFRVPSSVDVASLVKCQLVVASFVDVTGLQLPGVLDDMF
AYTGPLGAVFSEDSVSLHLWAPTAQGVSVCFFDGPAGPALETVQLKESNG
VWSVTGPREWENRYYLYEVDVYHPTKAQVLKCLAGDPYARSLSANGARTW
LVDINNETLKPASWDELADEKPKLDSFSDITIYELHIRDFSAHDGTVDSD
SRGGFRAFAYQASAGMEHLRKLSDAGLTHVHLLPSFHFAGVDDIKSNWKF
VDECELATFPPGSDMQQAAVVAIQEEDPYNWGYNPVLWGVPKGSYASDPD
GPSRIIEYRQMVQALNRIGLRVVMDVVYNHLDSSGPCGISSVLDKIVPGY
YVRRDTNGQIENSAAMNNTASEHFMVDRLIVDDLLNWAVNYKVDGFRFDL
MGHIMKRTMMRAKSALQSLTTDAHGVDGSKIYLYGEGWDFAEVARNQRGI
NGSQLNMSGTGIGSFNDRIRDAINGGNPFGNPLQQGFNTGLFLEPNGFDT
RRSLATYADQIQIGLAGNLRDYVLISHTGEAKKGSEIHTFDGLPVGYTAS
PIETINYVSAHDNETLFDVISVKTPMILSVDERCRINHLASSMMALSQGI
PFFHAGDEILRSKSIDRDSYNSGDWFNKLDFTYETNNWGVGLPPSEKNED
NWPLMKPRLENPSFKPAKGHILAALDSFVDILKIRYSSPLFRLSTANDIK
QRVRFHNTGPSLVPGVIVMGIEDARGESPEMAQLDTNFSYVVTVFNVCPH
EVSMDIPALASMGFELHPVQVNSSDTLVRKSAYEAATGRFTVPGRTVSVF
VEPR
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 chain4j3s Chain C Residue 2 [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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PDB4j3s Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase
Resolution1.75 Å
Binding residue
(original residue number in PDB)		M440 Y700 K727
Binding residue
(residue number reindexed from 1)		M416 Y670 K697
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) N195 H287 F288 K342 D449 E486 D612
Enzyme Commision number 3.2.1.41: pullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0046872 metal ion binding
GO:0051060 pullulanase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4j3s, PDBe:4j3s, PDBj:4j3s
PDBsum4j3s
PubMed25562209
UniProtQ9FYY0

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