Structure of PDB 4grz Chain A Binding Site BS01

Receptor Information
>4grz Chain A (length=282) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFWEEFESLQKQEVKNLHQRLEGQRPENKGKNRYKNILPFDHSRVILQGR
DSNIPGSDYINANYIKNQLLGPDENAKTYIASQGCLEATVNDFWQMAWQE
NSRVIVMTTREVEKGRNKCVPYWPEVGMQRAYGPYSVTNCGEHDTTEYKL
RTLQVSPLDNGDLIREIWHYQYLSWPDHGVPSEPGGVLSFLDQINQRQES
LPHAGPIIVHSSAGIGRTGTIIVIDMLMENISTKGLDCDIDIQKTIQMVR
AQRSGMVQTEAQYKFIYVAIAQFIETTKKKLE
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4grz Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4grz Structure-guided studies of the SHP-1/JAK1 interaction provide new insights into phosphatase catalytic domain substrate recognition.
Resolution1.3732 Å
Binding residue
(original residue number in PDB)		D419 S453 S454 A455 I457 G458 R459
Binding residue
(residue number reindexed from 1)		D177 S211 S212 A213 I215 G216 R217
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D419 S453 R459 T460 Q500
Catalytic site (residue number reindexed from 1) D177 S211 R217 T218 Q258
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:4grz, PDBe:4grz, PDBj:4grz
PDBsum4grz
PubMed23296072
UniProtP29350|PTN6_HUMAN Tyrosine-protein phosphatase non-receptor type 6 (Gene Name=PTPN6)

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