Structure of PDB 3p13 Chain B Binding Site BS01

Receptor Information
>3p13 Chain B (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 B 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 Y125
Binding residue
(residue number reindexed from 1)		D24 G26 H95 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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