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BioLiP

Structure of PDB 3vnj Chain B Binding Site BS02

Receptor Information
>3vnj Chain B (length=288) Species: 394503 (Ruminiclostridium cellulolyticum H10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINE
LKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLD
VHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLE
VLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRT
AGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMG
GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLE
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 chain3vnj Chain B Residue 302 [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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PDB3vnj Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Resolution2.08 Å
Binding residue
(original residue number in PDB)		E150 D183 H209 E244
Binding residue
(residue number reindexed from 1)		E150 D183 H209 E244
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.30: D-psicose 3-epimerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
GO:0050897 cobalt ion binding

View graph for
Molecular Function
External links
PDB RCSB:3vnj, PDBe:3vnj, PDBj:3vnj
PDBsum3vnj
PubMed22426981
UniProtB8I944|DPES_RUMCH D-psicose 3-epimerase (Gene Name=Ccel_0941)

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