Structure of PDB 3hhe Chain A Binding Site BS01

Receptor Information
>3hhe Chain A (length=233) Species: 283166 (Bartonella henselae str. Houston-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVQQLKKMAALKALEFVEDDMRLGIGSGSTVNEFIPLLGERVANGLRVTC
VATSQYSEQLCHKFGVPISTLEKIPELDLDIDGADEIGPEMTLIKGGGGA
LLHEKIVASASRAMFVIADETKMVKTLGAFALPIEVNPFGIHATRIAIEK
AADNLGLSGEITLRMNGDDPFKTDGGHFIFDAFWGRILQPKLLSEALLAI
PGVVEHGLFLGLASRAIVAMADSQIKVLEPFDF
Ligand information
Ligand ID5RP
InChIInChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1
InChIKeyFNZLKVNUWIIPSJ-UHNVWZDZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)CO)O)O)OP(=O)(O)O
CACTVS 3.341OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O
FormulaC5 H11 O8 P
NameRIBULOSE-5-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000001532567
PDB chain3hhe Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hhe Crystal structure of ribose-5-phosphate isomerase A from Bartonella henselae
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S49 S51 T52 G105 A106 D107 K117 G118 G120 E126 K144
Binding residue
(residue number reindexed from 1)		S27 S29 T30 G83 A84 D85 K95 G96 G98 E104 K122
Annotation score5
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
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:3hhe, PDBe:3hhe, PDBj:3hhe
PDBsum3hhe
PubMed
UniProtQ6G3V6|RPIA_BARHE Ribose-5-phosphate isomerase A (Gene Name=rpiA)

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