Structure of PDB 3pkw Chain A Binding Site BS01

Receptor Information
>3pkw Chain A (length=220) Species: 1406 (Paenibacillus polymyxa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIKQLTLYTAELDRMLAFYTNMLGAQHVHEQADAFTIQLGVSQIQFRAAA
DGTKPFYHIAINIAANHFQEGKAWLSGFGELLTENDEDQAYFPFFNAYSC
YVEDPSGNIIELISRQQAAPVLDKPFSADQLLSIGEINITTSDVEQAATR
LKQAELPVKLDQIEPAGLNFIGDQDLFLLLGPPGRRWLFSERVAVIYPLQ
MELDNGVSLAITETGELVIL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3pkw Chain A Residue 230 [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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PDB3pkw Toxoflavin lyase requires a novel 1-his-2-carboxylate facial triad .
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H60 E113 E138
Binding residue
(residue number reindexed from 1)		H58 E111 E136
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3pkw, PDBe:3pkw, PDBj:3pkw
PDBsum3pkw
PubMed21166463
UniProtE3SET7

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