Structure of PDB 4lr8 Chain A Binding Site BS05

Receptor Information
>4lr8 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
YTAADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVG
EPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVT
ESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEA
LQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSP
SMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL
Ligand information
Ligand IDHSX
InChIInChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
InChIKeyKTVPXOYAKDPRHY-AIHAYLRMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C1O
CACTVS 3.341O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1O
FormulaC5 H11 O8 P
Name5-O-phosphono-alpha-D-ribofuranose;
5-O-phosphono-alpha-D-ribose;
5-O-phosphono-D-ribose;
5-O-phosphono-ribose
ChEMBLCHEMBL605020
DrugBank
ZINCZINC000004096190
PDB chain4lr8 Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lr8 Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T85 D156 R193 V283 D286 A287 H339
Binding residue
(residue number reindexed from 1)		T84 D155 R192 V282 D285 A286 H338
Annotation score5
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:4lr8, PDBe:4lr8, PDBj:4lr8
PDBsum4lr8
PubMed24657930
UniProtQ818Z9|DEOB_BACCR Phosphopentomutase (Gene Name=deoB)

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