Structure of PDB 1uoe Chain A Binding Site BS01

Receptor Information
>1uoe Chain A (length=336) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVLDEQLAGLAKAHPSLTLHQDPVYVTRADAPVAGKVALLSGGGSGHEPM
HCGYIGQGMLSGACPGEIFTSPTPDKIFECAMQVDGGEGVLLIIKNYTGD
ILNFETATELLHDSGVKVTTVVIDDDVAVKDSLYTAGRRGVANTVLIEKL
VGAAAERGDSLDACAELGRKLNNQGHSIGIALGACLADNEMEFGVGIHGE
PGIDRRPFSSLDNTVDEMFDTLLVNGSYHRTLRFWDYQQGSWQEEQQTKQ
PLQSGDRVIALVNNLGATPLSELYGVYNRLTTRCQQAGLTIERNLIGAYC
TSLDMTGFSITLLKVDDETLALWDAPVHTPALNWGK
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1uoe Chain A Residue 1369 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uoe Phosphoenolpyruvate- and ATP-Dependent Dihydroxyacetone Kinases: Covalent Substrate-Binding and Kinetic Mechanism
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G62 G63 H66 F88 S90 Y116 D119 H230
Binding residue
(residue number reindexed from 1)		G43 G44 H47 F69 S71 Y97 D100 H198
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.121: phosphoenolpyruvate--glycerone phosphotransferase.
Gene Ontology
Molecular Function
GO:0004371 glycerone kinase activity
GO:0005515 protein binding
GO:0016301 kinase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0047324 phosphoenolpyruvate-glycerone phosphotransferase activity
Biological Process
GO:0006071 glycerol metabolic process
GO:0006090 pyruvate metabolic process
GO:0006974 DNA damage response
GO:0016310 phosphorylation
GO:0019563 glycerol catabolic process
GO:0042182 ketone catabolic process
GO:0046365 monosaccharide catabolic process
GO:0046835 carbohydrate phosphorylation
GO:0061610 glycerol to glycerone phosphate metabolic process
Cellular Component
GO:0005829 cytosol
GO:1990234 transferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1uoe, PDBe:1uoe, PDBj:1uoe
PDBsum1uoe
PubMed15476397
UniProtP76015|DHAK_ECOLI PEP-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit DhaK (Gene Name=dhaK)

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