Structure of PDB 1d1p Chain A Binding Site BS01

Receptor Information
>1d1p Chain A (length=156) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKISVAFICLGNFCRSPMAEAIFKHEVEKANLENRFNKIDSFGTSNYHVG
ESPDHRTVSICKQHGVKINHKGKQIKTKHFDEYDYIIGMDESNINNLKKI
QPEGSKAKVCLFGDWNTNDGTVQTIIEDPWYGDIQDFEYNFKQITYFSKQ
FLKKEL
Ligand information
Ligand IDEPE
InChIInChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKeyJKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCN1CCN(CCO)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCO)CCS(=O)(=O)O
CACTVS 3.341OCCN1CCN(CC1)CC[S](O)(=O)=O
FormulaC8 H18 N2 O4 S
Name4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID;
HEPES
ChEMBLCHEMBL1232545
DrugBankDB16872
ZINCZINC000019203136
PDB chain1d1p Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1d1p Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C13 L14 G15 F17 C18 R19 H52 D132 W134
Binding residue
(residue number reindexed from 1)		C9 L10 G11 F13 C14 R15 H48 D128 W130
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.60,Ki=0.25mM
Enzymatic activity
Catalytic site (original residue number in PDB) C13 N16 C18 R19 S20 D132
Catalytic site (residue number reindexed from 1) C9 N12 C14 R15 S16 D128
Enzyme Commision number 3.1.3.2: acid phosphatase.
3.1.3.48: protein-tyrosine-phosphatase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
GO:0004721 phosphoprotein phosphatase activity
GO:0004725 protein tyrosine phosphatase activity
Biological Process
GO:0006470 protein dephosphorylation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1d1p, PDBe:1d1p, PDBj:1d1p
PDBsum1d1p
PubMed10684639
UniProtP40347|PPAL_YEAST Low molecular weight phosphotyrosine protein phosphatase (Gene Name=LTP1)

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