Structure of PDB 3p13 Chain D Binding Site BS01

Receptor Information
>3p13 Chain D (length=129) Species: 93061 (Staphylococcus aureus subsp. aureus NCTC 8325) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVLNEHISKAIATIGHFDLLTINDAGMPIPNDHRRIDLAVTKNLPRFIDV
LATVLEEMEIQKIYLAEEIKEHNPTQLQQIKQLISSEIEIIFIPHEEMKS
NLAHPLNKGNIRTGETTPYSNIALESNVT
Ligand information
Ligand IDRIP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-TXICZTDVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-ribopyranose;
beta-D-ribose;
D-ribose;
ribose;
RIBOSE(PYRANOSE FORM)
ChEMBLCHEMBL1159662
DrugBankDB04286
ZINCZINC000004097544
PDB chain3p13 Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p13 Crystal structure of Sa240: A ribose pyranase homolog with partial active site from Staphylococcus aureus
Resolution2.35 Å
Binding residue
(original residue number in PDB)		D30 G32 H101 P124 Y125
Binding residue
(residue number reindexed from 1)		D24 G26 H95 P118 Y119
Annotation score5
Enzymatic activity
Enzyme Commision number 5.4.99.62: D-ribose pyranase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0016866 intramolecular transferase activity
GO:0016872 intramolecular lyase activity
GO:0048029 monosaccharide binding
GO:0062193 D-ribose pyranase activity
Biological Process
GO:0005996 monosaccharide metabolic process
GO:0019303 D-ribose catabolic process
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:3p13, PDBe:3p13, PDBj:3p13
PDBsum3p13
PubMed21276853
UniProtQ2G1A5|RBSD_STAA8 D-ribose pyranase (Gene Name=rbsD)

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