Structure of PDB 3un5 Chain E Binding Site BS02

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 396 [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)		D13 E85 D327 H328
Binding residue
(residue number reindexed from 1)		D11 E83 D325 H326
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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