Structure of PDB 4j3w Chain A Binding Site BS01

Receptor Information
>4j3w Chain A (length=862) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPDARAYWVTSDLIAWNVGSVCLYASRAAAMQGYDSKVELQPESAGLPET
VTQKFPFISSYRAFRVPSSVDVASLVKCQLVVASFVDVTGLQLPGVLDDM
FAYTGPLGAVFSEDSVSLHLWAPTAQGVSVCFFDGPAGPALETVQLKESN
GVWSVTGPREWENRYYLYEVDVYHPTKAQVLKCLAGDPYARSLSANGART
WLVDINNETLKPASWDELADEKPKLDSFSDITIYELHIRDFSAHDGTVDS
DSRGGFRAFAYQASAGMEHLRKLSDAGLTHVHLLPSFHFAGVDDIKSNWK
FVDECELATFPPGSDMQQAAVVAIQEEDPYNWGYNPVLWGVPKGSYASDP
DGPSRIIEYRQMVQALNRIGLRVVMDVVYNHLDSSGPCGISSVLDKIVPG
YYVRRDTNGQIENSAAMNNTASEHFMVDRLIVDDLLNWAVNYKVDGFRFD
LMGHIMKRTMMRAKSALQSLTTDAHGVDGSKIYLYGAGWDFAEVARNQRG
INGSQLNMSGTGIGSFNDRIRDAINGGNPFGNPLQQGFNTGLFLEPNGFY
QGNEADTRRSLATYADQIQIGLAGNLRDYVLISHTGEAKKGSEIHTFDGL
PVGYTASPIETINYVSAHDNETLFDVISVKTPMILSVDERCRINHLASSM
MALSQGIPFFHAGDEILRSKSIDRDSYNSGDWFNKLDFTYETNNWGVGLP
PSEKNEDNWPLMKPRLENPSFKPAKGHILAALDSFVDILKIRYSSPLFRL
STANDIKQRVRFHNTGPSLVPGVIVMGIEDARGESPEMAQLDTNFSYVVT
VFNVCPHEVSMDIPALASMGFELHPVQVNSSDTLVRKSAYEAATGRFTVP
GRTVSVFVEPRC
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 chain4j3w Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4j3w Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase
Resolution1.67 Å
Binding residue
(original residue number in PDB)		W512 F514 D541 R544
Binding residue
(residue number reindexed from 1)		W489 F491 D518 R521
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N219 H311 F312 K366 D473 A510 D642
Catalytic site (residue number reindexed from 1) N196 H288 F289 K343 D450 A487 D619
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:4j3w, PDBe:4j3w, PDBj:4j3w
PDBsum4j3w
PubMed25562209
UniProtQ9FYY0

[Back to BioLiP]