Structure of PDB 7r7l Chain B

Receptor sequence
>7r7lB (length=489) Species: 9606 (Homo sapiens) [Search protein sequence]
TSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAV
THIKIQNTGDYYDLYGGEKFATLAELVQYYMEHGQLKDVIELKYPLNCAD
PTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDG
KSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLK
QPLNTTRINAAEIESRVRELSKGFWEEFETLQQQECKLLYSRKEGQRQEN
KNKNRYKNILPFDHTRVVLHDGVSDYINANIIMPEFETKSYIATQGCLQN
TVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVR
NVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVL
DFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDC
DIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETL
3D structure
PDB7r7l Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
ChainB
Resolution3.0 Å
3D
structure
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Enzymatic activity
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 3ED B T108 E110 R111 F113 T219 T253 L254 Q257 P491 K492 Q495 T102 E104 R105 F107 T206 T230 L231 Q234 P455 K456 Q459 BindingDB: IC50=>10000nM
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:7r7l, PDBe:7r7l, PDBj:7r7l
PDBsum7r7l
PubMed34643390
UniProtQ06124|PTN11_HUMAN Tyrosine-protein phosphatase non-receptor type 11 (Gene Name=PTPN11)

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