Structure of PDB 3s3e Chain B Binding Site BS01

Receptor Information
>3s3e Chain B (length=285) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASRPILIKNFAEHYRLMSADSDFRFSEEFEELKHVGRDQPCTFADLPCN
RPKNRFTNILPYDHSRFKLQPVDDDEGSDYINANYVPGHNSPREFIVTQG
PLHSTRDDFWRMCWESNSRAIVMLTRCFEKGREKCDQYWPNDTVPVFYGD
IKVQILNDSHYADWVMTEFMLCRGSEQRILRHFHFTTWPDFGVPNPPQTL
VRFVRAFRDRIGAEQRPIVVHCSAGVGRSGTFITLDRILQQINTSDYVDI
FGIVYAMRKERVWMVQTEQQYICIHQCLLAVLEGK
Ligand information
Ligand ID1BO
InChIInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKeyLRHPLDYGYMQRHN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCO
ACDLabs 10.04OCCCC
FormulaC4 H10 O
Name1-BUTANOL;
BUTAN-1-OL
ChEMBLCHEMBL14245
DrugBankDB02145
ZINCZINC000001530354
PDB chain3s3e Chain B Residue 314 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s3e Conformational basis for substrate recruitment in protein tyrosine phosphatase 10D
Resolution2.4 Å
Binding residue
(original residue number in PDB)		T145 K154 C242 S243 A244 R248
Binding residue
(residue number reindexed from 1)		T125 K134 C222 S223 A224 R228
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D210 C242 R248 S249 Q286
Catalytic site (residue number reindexed from 1) D190 C222 R228 S229 Q266
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
Gene Ontology
Molecular Function
GO:0004725 protein tyrosine phosphatase activity
Biological Process
GO:0006470 protein dephosphorylation
GO:0016311 dephosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3s3e, PDBe:3s3e, PDBj:3s3e
PDBsum3s3e
PubMed22007620
UniProtP35992|PTP10_DROME Tyrosine-protein phosphatase 10D (Gene Name=Ptp10D)

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