Structure of PDB 6mdb Chain A

Receptor sequence
>6mdbA (length=487) Species: 9606 (Homo sapiens) [Search protein sequence]
SRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVT
HIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKGDVIELKYPLNCA
DPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQPGDFVLSVRTGDSK
VTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPL
NTTRINAAEIESRVRELSKLQGFWEEFETLQQQECKLLYSRKEGQRQENK
NKNRYKNILPFDHTRVVLHDGDPPVSDYINANIIMPKSYIATQGCLQNTV
NDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNV
KESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDF
LEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDI
DVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETL
3D structure
PDB6mdb 6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
ChainA
Resolution2.34 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D425 C459 R465 T466 Q506
Catalytic site (residue number reindexed from 1) D387 C421 R427 T428 Q468
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 JE4 A R111 F113 H114 T219 E249 E250 T253 L254 Q257 P491 K492 Q495 R106 F108 H109 T203 E225 E226 T229 L230 Q233 P453 K454 Q457 MOAD: ic50=0.064uM
PDBbind-CN: -logKd/Ki=7.17,IC50=0.067uM
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
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Biological Process
External links
PDB RCSB:6mdb, PDBe:6mdb, PDBj:6mdb
PDBsum6mdb
PubMed30688459
UniProtQ06124|PTN11_HUMAN Tyrosine-protein phosphatase non-receptor type 11 (Gene Name=PTPN11)

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