Structure of PDB 2fli Chain G Binding Site BS02

Receptor Information
>2fli Chain G (length=218) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STLKIAPSILAADYANFASELARIEETDAEYVHIDIMDGQFVPNISFGAD
VVASMRKHSKLVFDCHLMVVDPERYVEAFAQAGADIMTIHTESTRHIHGA
LQKIKAAGMKAGVVINPGTPATALEPLLDLVDQVLIMTVNPGFGGQAFIP
ECLEKVATVAKWRDEKGLSFDIEVDGGVDNKTIRACYEAGANVFVAGSYL
FKASDLVSQVQTLRTALN
Ligand information
Ligand IDDX5
InChIInChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1
InChIKeyVJDOAZKNBQCAGE-VPENINKCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O
OpenEye OEToolkits 1.5.0C(C(C(C(COP(=O)(O)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)CO
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
FormulaC5 H13 O8 P
NameD-XYLITOL-5-PHOSPHATE;
D-HYLITOL-5-PHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain2fli Chain G Residue 1911 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fli d-Ribulose 5-Phosphate 3-Epimerase: Functional and Structural Relationships to Members of the Ribulose-Phosphate Binding (beta/alpha)(8)-Barrel Superfamily(,).
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S9 D36 M69 P142 G143 F144 G145 D176 G178 G198 S199
Binding residue
(residue number reindexed from 1)		S8 D35 M68 P141 G142 F143 G144 D175 G177 G197 S198
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) S9 H34 D36 M38 H67 M69 M138 D176
Catalytic site (residue number reindexed from 1) S8 H33 D35 M37 H66 M68 M137 D175
Enzyme Commision number 5.1.3.1: ribulose-phosphate 3-epimerase.
Gene Ontology
Molecular Function
GO:0004750 D-ribulose-phosphate 3-epimerase activity
GO:0016853 isomerase activity
GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006098 pentose-phosphate shunt
GO:0009052 pentose-phosphate shunt, non-oxidative branch
GO:0019323 pentose catabolic 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:2fli, PDBe:2fli, PDBj:2fli
PDBsum2fli
PubMed16489742
UniProtQ9A1H8

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