Structure of PDB 4j3v Chain A Binding Site BS06

Receptor Information
>4j3v Chain A (length=872) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FMPDARAYWVTSDLIAWNVGELEAQSVCLYASRAAAMSLSGGIQGYDSKV
ELQPESAGLPETVTQKFPFISSYRAFRVPSSVDVASLVKCQLVVASVDVT
GLQLPGVLDDMFAYTGPLGAVFSEDSVSLHLWAPTAQGVSVCFFDGPAGP
ALETVQLKESNGVWSVTGPREWENRYYLYEVDVYHPTKAQVLKCLAGDPY
ARSLSANGARTWLVDINNETLKPASWDELADEKPKLDSFSDITIYELHIR
DFSAHDGTVDSDSRGGFRAFAYQASAGMEHLRKLSDAGLTHVHLLPSFHF
AGVDDIKSNWKFVDECELATFPPGSDMQQAAVVAIQEEDPYNWGYNPVLW
GVPKGSYASDPDGPSRIIEYRQMVQALNRIGLRVVMDVVYNHLDSSGPCG
ISSVLDKIVPGYYVRRDTNGQIENSAAMNNTASEHFMVDRLIVDDLLNWA
VNYKVDGFRFDLMGHIMKRTMMRAKSALQSLTTDAHGVDGSKIYLYGEGW
DFAEVARNQRGINGSQLNMSGTGIGSFNDRIRDAINGGNPFGNPLQQGFN
TGLFLEPNGFYQGNEADTRRSLATYADQIQIGLAGNLRDYVLISHTGEAK
KGSEIHTFDGLPVGYTASPIETINYVSAHDNETLFDVISVKTPMILSVDE
RCRINHLASSMMALSQGIPFFHAGDEILRSKSIDRDSYNSGDWFNKLDFT
YETNNWGVGLPPSEKNEDNWPLMKPRLENPSFKPAKGHILAALDSFVDIL
KIRYSSPLFRLSTANDIKQRVRFHNTGPSLVPGVIVMGIEDARGESPEMA
QLDTNFSYVVTVFNVCPHEVSMDIPALASMGFELHPVQVNSSDTLVRKSA
YEAATGRFTVPGRTVSVFVEPR
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 chain4j3v Chain C Residue 4 [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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PDB4j3v Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase
Resolution1.45 Å
Binding residue
(original residue number in PDB)		D406 M440
Binding residue
(residue number reindexed from 1)		D394 M428
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) N207 H299 F300 K354 D461 E498 D630
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:4j3v, PDBe:4j3v, PDBj:4j3v
PDBsum4j3v
PubMed25562209
UniProtQ9FYY0

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