Structure of PDB 4lrb Chain A Binding Site BS04

Receptor Information
>4lrb Chain A (length=391) Species: 1396 (Bacillus cereus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVK
LGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDTMTGHWEIMGLYIDTPF
QVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIV
YTGADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVG
EPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVT
ESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEA
LQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSP
SMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL
Ligand information
Ligand ID1X4
InChIInChI=1S/C5H11O6P/c6-5-2-1-4(11-5)3-10-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5-/m0/s1
InChIKeyDOJAXCJBQVATEM-WHFBIAKZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[CH]1CC[CH](CO[P](O)(O)=O)O1
CACTVS 3.385O[C@@H]1CC[C@@H](CO[P](O)(O)=O)O1
OpenEye OEToolkits 1.7.6C1CC(OC1COP(=O)(O)O)O
OpenEye OEToolkits 1.7.6C1C[C@H](O[C@@H]1COP(=O)(O)O)O
ACDLabs 12.01O=P(OCC1OC(O)CC1)(O)O
FormulaC5 H11 O6 P
Name2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose;
2,3-dideoxyribose-5-phosphate;
2,3-dideoxy-5-O-phosphono-alpha-D-ribose;
2,3-dideoxy-5-O-phosphono-D-ribose;
2,3-dideoxy-5-O-phosphono-ribose
ChEMBL
DrugBank
ZINCZINC000098208046
PDB chain4lrb Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lrb Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S131 Q160 R197 R208
Binding residue
(residue number reindexed from 1)		S130 Q159 R196 R207
Annotation score2
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:4lrb, PDBe:4lrb, PDBj:4lrb
PDBsum4lrb
PubMed24657930
UniProtQ818Z9|DEOB_BACCR Phosphopentomutase (Gene Name=deoB)

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