Structure of PDB 1pyn Chain A

Receptor sequence
>1pynA (length=282) Species: 9606 (Homo sapiens) [Search protein sequence]
EMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSP
FDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWE
QKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKS
YYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRES
GSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLL
EMRKFRMGLIQTADQLRFSYLAVIEGAKFIMG
3D structure
PDB1pyn Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
ChainA
Resolution2.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D181 C215 R221 S222 Q262
Catalytic site (residue number reindexed from 1) D180 C214 R220 S221 Q261
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 941 A Y20 R24 Y46 D48 C215 S216 A217 G220 R221 R254 G259 Q262 G283 Y19 R23 Y45 D47 C214 S215 A216 G219 R220 R253 G258 Q261 G282 MOAD: Ki=3.2uM
PDBbind-CN: -logKd/Ki=5.49,Ki=3.2uM
BindingDB: Ki=3200nM
Gene Ontology
Molecular Function
GO:0004725 protein tyrosine phosphatase activity
Biological Process
GO:0006470 protein dephosphorylation
GO:0016311 dephosphorylation

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1pyn, PDBe:1pyn, PDBj:1pyn
PDBsum1pyn
PubMed12951078
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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