Structure of PDB 7mpd Chain A Binding Site BS01

Receptor Information
>7mpd Chain A (length=160) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYWVRRKTIGGSGLPYTENEILEWRKEGVKRVLVLPEDWEIEESWGDKDY
YLSILKKNGLQPLHIPIPDGGVPSDSQFLTIMKWLLSEKEGNLVHCVGGI
GRTGTILASYLILTEGLEVESAIDEVRLVRPGAVQTYEQEMFLLRVEGMR
KSWLKNIYSN
Ligand information
Ligand IDZLJ
InChIInChI=1S/C2H5ClO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)
InChIKeyFXKMTSIKHBYZSZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01ClCCS(=O)(=O)O
OpenEye OEToolkits 2.0.7C(CCl)S(=O)(=O)O
CACTVS 3.385O[S](=O)(=O)CCCl
FormulaC2 H5 Cl O3 S
Name2-chloroethane-1-sulfonic acid
ChEMBL
DrugBank
ZINCZINC000004261819
PDB chain7mpd 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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PDB7mpd Significant Loop Motions in the SsoPTP Protein Tyrosine Phosphatase Allow for Dual General Acid Functionality.
Resolution1.05 Å
Binding residue
(original residue number in PDB)		G70 C96 V97 G98 I100 G101 R102 Q135 Q139
Binding residue
(residue number reindexed from 1)		G70 C96 V97 G98 I100 G101 R102 Q135 Q139
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004725 protein tyrosine phosphatase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006470 protein dephosphorylation
GO:0016311 dephosphorylation
Cellular Component
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:7mpd, PDBe:7mpd, PDBj:7mpd
PDBsum7mpd
PubMed34496202
UniProtQ97VZ7

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