Structure of PDB 3un5 Chain E Binding Site BS01

Receptor Information
>3un5 Chain E (length=390) Species: 1396 (Bacillus cereus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVKL
GLGNIREMKGISKVEKPLGYYTKMQEKSTGKDEMTGHWEIMGLYIDTPFQ
VFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIVY
TSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGE
PGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTE
SLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEAL
QEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSPS
MKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL
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 chain3un5 Chain E Residue 395 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3un5 Molecular Differences between a Mutase and a Phosphatase: Investigations of the Activation Step in Bacillus cereus Phosphopentomutase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E85 D156 D286 H291 H339
Binding residue
(residue number reindexed from 1)		E83 D154 D284 H289 H337
Annotation score1
Enzymatic activity
Enzyme Commision number 5.4.2.7: phosphopentomutase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0008973 phosphopentomutase activity
GO:0016853 isomerase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006015 5-phosphoribose 1-diphosphate biosynthetic process
GO:0006018 2-deoxyribose 1-phosphate catabolic process
GO:0009117 nucleotide metabolic process
GO:0043094 cellular metabolic compound salvage
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3un5, PDBe:3un5, PDBj:3un5
PDBsum3un5
PubMed22329805
UniProtQ818Z9|DEOB_BACCR Phosphopentomutase (Gene Name=deoB)

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