Structure of PDB 2i6p Chain A Binding Site BS01

Receptor Information
>2i6p Chain A (length=159) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYWVRRKTIGGSGLPYTENEILEWRKEGVKRVLVLPEDWEIEESWGDKDY
YLSILKKNGLQPLHIPIPDGGVPSDSQFLTIMKWLLSEKEGNLVHSVGGI
GRTGTILASYLILTEGLEVESAIDEVRLVRPGAVQTYEQEMFLLRVEGMR
KSWLKNIYS
Ligand information
Ligand ID4NP
InChIInChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
InChIKeyXZKIHKMTEMTJQX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O
FormulaC6 H6 N O6 P
Name4-NITROPHENYL PHOSPHATE
ChEMBLCHEMBL24231
DrugBankDB04214
ZINCZINC000001529638
PDB chain2i6p Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2i6p Enzyme-substrate interactions revealed by the crystal structures of the archaeal Sulfolobus PTP-fold phosphatase and its phosphopeptide complexes
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D69 S96 V97 G98 G99 I100 G101 R102
Binding residue
(residue number reindexed from 1)		D69 S96 V97 G98 G99 I100 G101 R102
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
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:2i6p, PDBe:2i6p, PDBj:2i6p
PDBsum2i6p
PubMed17173287
UniProtQ97VZ7

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