Structure of PDB 4lre Chain A Binding Site BS01

Receptor Information

>4lre Chain A (length=391) Species: 1396 (Bacillus cereus)

NKYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVK
LGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDTMTGHWEIMGLYIDTPF
QVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIV
YTSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVG
EPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVT
ESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEA
LQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSP
SMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4lre Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4lre Bioretrosynthetic construction of a didanosine biosynthetic pathway.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): T85 D156 D286 H291 H339
• Binding residue (residue number reindexed from 1): T84 D155 D285 H290 H338
• Annotation score: 1

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

External links

• PDB: RCSB:4lre, PDBe:4lre, PDBj:4lre
• PDBsum: 4lre
• PubMed: 24657930
• UniProt: Q818Z9|DEOB_BACCR Phosphopentomutase (Gene Name=deoB)