Structure of PDB 3wdj Chain A Binding Site BS01

Receptor Information
>3wdj Chain A (length=683) Species: 1070988 (Anoxybacillus sp. LM18-11) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEAYLDELTMITILFPCPIFFLRDDKKTAYRLTIRSSEFIKYECLVPFIV
ELGKRYVVYTEEQVPLQVGAVMRTKAFDDLYAYDGNDLGATYDPEKTTFK
VWAPTATDVLLKLIHPTTKEETTYVMTREKKGLWTYTVYDDVERFLYTYM
TYVNFIWREAVDPYAKSVSVNGTYGVVVDLAKTNIPKPSMSLFISMTDAI
IYEMHIRDFTIHHESGVRQKGKYVGLTERGTTGPNGTLTGLSYIKQLGVT
HVQLMPVQDFEGVDELQPLKMYNWGYNTVHYNAPEGSYATDPDDPYARII
ELKRAIRAFQQEGIRVILDVVYNHVYVRETSSFEHLVPGYYFRYERNGYP
SNGTGVGNDLASERKMVKKFIIDSVTYWLKEYGVDGFRFDLMGILDIDTM
NDVRRAIDEIDPTVIILGEGWDLATPLPSEKKTTIANAKHTPRIAYFNDR
FRDYVKGSTFDIHERGFALGDCSYKEAVIGAIRGSIHLFFSPRQSVNYVE
CHDNHTLWDKMAVANAHESEYIRRKRQKLATAIVLLSQGIPFLHSGQEFY
RTKKGVENSYNSPDEVNQVDWNEKSRWEEDVREIMKLIELRKKHGAFRFL
TADQVRRHMKFYDTHPSVIAYQLVDVGVYGPWKQIVVVYHNEEKKAMLPL
ADGKWKVMFSSLGNVCEQFIEINGIGAWVLIQC
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 chain3wdj Chain B 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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PDB3wdj Cloning, Expression, Functional and Structural Studies of Pullulanase from Anoxybacillus sp. LM18-11
Resolution2.22 Å
Binding residue
(original residue number in PDB)		W444 D472 R475 F483
Binding residue
(residue number reindexed from 1)		W421 D449 R452 F460
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N194 D282 F283 E308 D413 E442 D526
Catalytic site (residue number reindexed from 1) N171 D259 F260 E285 D390 E419 D503
Enzyme Commision number 3.2.1.41: pullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
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:3wdj, PDBe:3wdj, PDBj:3wdj
PDBsum3wdj
PubMed
UniProtK9L0H1

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