Structure of PDB 3ovr Chain A Binding Site BS02

Receptor Information
>3ovr Chain A (length=221) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GCKIGPSILNSDLANLGAECLRMLDSGADYLHLDVMDGHFVPNITFGHPV
VESLRKQLGQDPFFDMHMMVSKPEQWVKPMAVAGANQYTFHLEATENPGA
LIKDIRENGMKVGLAIKPGTSVEYLAPWANQIDMALVMTVEPGFGGQKFM
EDMMPKVHWLRTQFPSLDIEVDGGVGPDTVHKCAEAGANMIVSGSAIMRS
EDPRSVINLLRNVCSEAAQKR
Ligand information
Ligand ID5SP
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-RFZPGFLSSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(OCC(O)C(O)C(=O)CO)(O)O
OpenEye OEToolkits 1.7.0C(C(C(C(=O)CO)O)O)OP(=O)(O)O
CACTVS 3.370OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.370OCC(=O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O
FormulaC5 H11 O8 P
Name5-O-phosphono-D-xylulose;
D-xylulose 5-phosphate
ChEMBL
DrugBankDB04034
ZINCZINC000030320708
PDB chain3ovr Chain A Residue 230 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ovr Conversion of D-ribulose 5-phosphate to D-xylulose 5-phosphate: new insights from structural and biochemical studies on human RPE
Resolution1.948 Å
Binding residue
(original residue number in PDB)		S10 L12 H35 D37 H70 M72 P145 D175 G176 G177 G197 S198
Binding residue
(residue number reindexed from 1)		S7 L9 H32 D34 H67 M69 P142 D172 G173 G174 G194 S195
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S10 H35 D37 M39 H70 M72 M141 D175
Catalytic site (residue number reindexed from 1) S7 H32 D34 M36 H67 M69 M138 D172
Enzyme Commision number 5.1.3.1: ribulose-phosphate 3-epimerase.
Gene Ontology
Molecular Function
GO:0004750 D-ribulose-phosphate 3-epimerase activity
GO:0005515 protein binding
GO:0016853 isomerase activity
GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
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
Cellular Component
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ovr, PDBe:3ovr, PDBj:3ovr
PDBsum3ovr
PubMed20923965
UniProtQ96AT9|RPE_HUMAN Ribulose-phosphate 3-epimerase (Gene Name=RPE)

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