5XZR

The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0001784	molecular_function	phosphotyrosine residue binding
A	0004721	molecular_function	phosphoprotein phosphatase activity
A	0004725	molecular_function	protein tyrosine phosphatase activity
A	0004726	molecular_function	non-membrane spanning protein tyrosine phosphatase activity
A	0005158	molecular_function	insulin receptor binding
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005654	cellular_component	nucleoplasm
A	0005730	cellular_component	nucleolus
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005829	cellular_component	cytosol
A	0005925	cellular_component	focal adhesion
A	0006470	biological_process	protein dephosphorylation
A	0007173	biological_process	epidermal growth factor receptor signaling pathway
A	0007420	biological_process	brain development
A	0007507	biological_process	heart development
A	0008543	biological_process	fibroblast growth factor receptor signaling pathway
A	0016311	biological_process	dephosphorylation
A	0016787	molecular_function	hydrolase activity
A	0019221	biological_process	cytokine-mediated signaling pathway
A	0019901	molecular_function	protein kinase binding
A	0030159	molecular_function	signaling receptor complex adaptor activity
A	0030971	molecular_function	receptor tyrosine kinase binding
A	0031295	biological_process	T cell costimulation
A	0031666	biological_process	positive regulation of lipopolysaccharide-mediated signaling pathway
A	0032331	biological_process	negative regulation of chondrocyte differentiation
A	0032480	biological_process	negative regulation of type I interferon production
A	0032728	biological_process	positive regulation of interferon-beta production
A	0032760	biological_process	positive regulation of tumor necrosis factor production
A	0032991	cellular_component	protein-containing complex
A	0033629	biological_process	negative regulation of cell adhesion mediated by integrin
A	0035335	biological_process	peptidyl-tyrosine dephosphorylation
A	0036302	biological_process	atrioventricular canal development
A	0038127	biological_process	ERBB signaling pathway
A	0042130	biological_process	negative regulation of T cell proliferation
A	0042311	biological_process	vasodilation
A	0043254	biological_process	regulation of protein-containing complex assembly
A	0045296	molecular_function	cadherin binding
A	0045778	biological_process	positive regulation of ossification
A	0046326	biological_process	positive regulation of D-glucose import
A	0046628	biological_process	positive regulation of insulin receptor signaling pathway
A	0048013	biological_process	ephrin receptor signaling pathway
A	0048806	biological_process	genitalia development
A	0048839	biological_process	inner ear development
A	0050839	molecular_function	cell adhesion molecule binding
A	0050860	biological_process	negative regulation of T cell receptor signaling pathway
A	0050868	biological_process	negative regulation of T cell activation
A	0051428	molecular_function	peptide hormone receptor binding
A	0051897	biological_process	positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
A	0060090	molecular_function	molecular adaptor activity
A	0060325	biological_process	face morphogenesis
A	0060338	biological_process	regulation of type I interferon-mediated signaling pathway
A	0070374	biological_process	positive regulation of ERK1 and ERK2 cascade
A	0071260	biological_process	cellular response to mechanical stimulus
A	0071364	biological_process	cellular response to epidermal growth factor stimulus
A	1902533	biological_process	positive regulation of intracellular signal transduction
A	1902564	biological_process	negative regulation of neutrophil activation
A	1990782	molecular_function	protein tyrosine kinase binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for residue 8J6 A 601

Chain	Residue
A	THR108
A	THR253
A	LEU254
A	PRO491
A	LYS492
A	GLU110
A	ARG111
A	PHE113
A	ASN217
A	THR218
A	THR219
A	GLU249
A	GLU250

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Functional Information from PROSITE/UniProt

site_id	PS00383
Number of Residues	11
Details	TYR_PHOSPHATASE_1 Tyrosine specific protein phosphatases active site. VHCsaGigRTG

Chain	Residue	Details
A	VAL457-GLY467

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	96
Details	Domain: {"description":"SH2 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00191","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	104
Details	Domain: {"description":"SH2 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00191","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Active site: {"description":"Phosphocysteine intermediate"}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"N-acetylthreonine","evidences":[{"source":"PubMed","id":"19413330","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"P35235","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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