Structure of PDB 1o8b Chain A Binding Site BS01

Receptor Information
>1o8b Chain A (length=168) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGVGTGSTEGAVSSSDAFDLNEVDSLGIYVDGADEINGHMQMIKGGGAL
TREKIIASVAEKFICIADASKQVDILGKFPLPVEVIPMARSAVARQLVKL
GGRPEYRQGVVTDNGNVILDVHGMEILDPIAMENAINAIPGVVTVGLFAN
RGADVALIGTPDGVKTIV
Ligand information
Ligand IDABF
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-SQOUGZDYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O
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
CACTVS 3.341O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C1O
FormulaC5 H11 O8 P
Name5-O-phosphono-beta-D-arabinofuranose;
BETA-D-ARABINOFURANOSE-5'-PHOSPHATE;
5-O-phosphono-beta-D-arabinose;
5-O-phosphono-D-arabinose;
5-O-phosphono-arabinose
ChEMBLCHEMBL1230787
DrugBankDB04127
ZINCZINC000004521831
PDB chain1o8b Chain A Residue 1269 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1o8b Structure of Escherichia Coli Ribose-5-Phosphate Isomerase: A Ubiquitous Enzyme of the Pentose Phosphate Pathway and the Calvin Cycle
Resolution1.25 Å
Binding residue
(original residue number in PDB)		T28 S30 T31 D81 D84 K94 G95 G96 E103 K121
Binding residue
(residue number reindexed from 1)		T6 S8 T9 D32 D35 K45 G46 G47 E53 K71
Annotation score1
Binding affinityMOAD: Ki=2.1mM
Enzymatic activity
Enzyme Commision number 5.3.1.6: ribose-5-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004751 ribose-5-phosphate isomerase activity
GO:0016853 isomerase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0006014 D-ribose metabolic process
GO:0006098 pentose-phosphate shunt
GO:0009052 pentose-phosphate shunt, non-oxidative branch
GO:0044281 small molecule metabolic process
Cellular Component
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:1o8b, PDBe:1o8b, PDBj:1o8b
PDBsum1o8b
PubMed12517338
UniProtP0A7Z0|RPIA_ECOLI Ribose-5-phosphate isomerase A (Gene Name=rpiA)

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