Structure of PDB 3wdi Chain A Binding Site BS06

Receptor Information
>3wdi Chain A (length=697) Species: 1070988 (Anoxybacillus sp. LM18-11) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSFEAYLDELTMITILFPCHVDQKRAPIFFLRDDKKTAYRLTIRSSEKHH
SFIKYECLVPFIVELGKRYVVYTEEGWQVPLQVGAVMRTKAFDDLYAYDG
NDLGATYDPEKTTFKVWAPTATDVLLKLIHPTTKEETTYVMTREKKGLWT
YTVYDDVERFLYTYMTYVNFIWREAVDPYAKSVSVNGTYGVVVDLAKTNI
PKPSMSLFISMTDAIIYEMHIRDFTIHHESGVRQKGKYVGLTERGTTGPN
GTLTGLSYIKQLGVTHVQLMPVQDFEGVDELQPLKMYNWGYNTVHYNAPE
GSYATDPDDPYARIIELKRAIRAFQQEGIRVILDVVYNHVYVRETSSFEH
LVPGYYFRYERNGYPSNGTGVGNDLASERKMVKKFIIDSVTYWLKEYGVD
GFRFDLMGILDIDTMNDVRRAIDEIDPTVIILGEGWDLATPLPSEKKTTI
ANAKHTPRIAYFNDRFRDYVKGSTFDIHERGFALGDCSYKEAVIGAIRGS
IHLFFSPRQSVNYVECHDNHTLWDKMAVANAHESEYIRRKRQKLATAIVL
LSQGIPFLHSGQEFYRTKKGVENSYNSPDEVNQVDWNEKSRWEEDVREIM
KLIELRKKHGAFRFLTADQVRRHMKFYDTHPSVIAYQLVDVGVYGPWKQI
VVVYHNEEKKAMLPLADGKWKVMFSSGNVCEQFIEINGIGAWVLIQC
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 chain3wdi Chain D Residue 3 [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]
PDB3wdi Cloning, Expression, Functional and Structural Studies of Pullulanase from Anoxybacillus sp. LM18-11
Resolution2.2 Å
Binding residue
(original residue number in PDB)		V91 G92 A93 R96
Binding residue
(residue number reindexed from 1)		V83 G84 A85 R88
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) N186 D274 F275 E300 D405 E434 D518
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:3wdi, PDBe:3wdi, PDBj:3wdi
PDBsum3wdi
PubMed
UniProtK9L0H1

[Back to BioLiP]