Structure of PDB 1u02 Chain A Binding Site BS02

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 251 [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)		D9 P19 R47
Binding residue
(residue number reindexed from 1)		D8 P18 R46
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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