Structure of PDB 3wdj Chain A Binding Site BS10

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3wdj Chain A Residue 805 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D282 F283 E288 E308
Binding residue
(residue number reindexed from 1)		D259 F260 E265 E285
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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