Structure of PDB 1u02 Chain A Binding Site BS03

Receptor Information
>1u02 Chain A (length=229) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLIFLDYDGTLVPIIMNPEESYADAGLLSLISDLKERFDTYIVTGRSPEE
ISRFLPLDINMICYHGACSKINGQIVYNNGSDRFLGVFDRIYEDTRSWVS
DFPGLRIYRKNLAVLYHLGLMGADMKPKLRSRIEEIARIFGVETYYGKMI
IELRVPGVNKGSAIRSVRGERPAIIAGDDATDEAAFEANDDALTIKVGEG
ETHAKFHVADYIEMRKILKFIEMLGVQKK
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 chain1u02 Chain A Residue 252 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1u02 Crystal structure of trehalose-6-phosphate phosphatase-related protein: biochemical and biological implications.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		K36 D40 T41 D59 N61
Binding residue
(residue number reindexed from 1)		K35 D39 T40 D58 N60
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.12: trehalose-phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004805 trehalose-phosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0005992 trehalose biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1u02, PDBe:1u02, PDBj:1u02
PDBsum1u02
PubMed16815921
UniProtQ9HIW7|OTSBH_THEAC Trehalose-6-phosphate phosphatase-related protein (Gene Name=Ta1209)

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