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- PDB-2bbu: solution structure of mouse socs3 in complex with a phosphopeptid... -

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Basic information

Entry
Database: PDB / ID: 2bbu
Titlesolution structure of mouse socs3 in complex with a phosphopeptide from the gp130 receptor
Components
  • GP130 PHOSPHOPEPTIDE
  • Suppressor of cytokine signaling 3
KeywordsCYTOKINE REGULATOR / SH2 DOMAIN / EXTENDED SH2 SUBDOMAIN / PEST MOTIF / PROTEIN COMPLEX / PHOSPHOPEPTIDE
Function / homology
Function and homology information


Regulation of IFNG signaling / PTK6 Activates STAT3 / IL-6-type cytokine receptor ligand interactions / leukemia inhibitory factor receptor activity / oncostatin-M receptor activity / MAPK3 (ERK1) activation / MAPK1 (ERK2) activation / Interferon gamma signaling / Interleukin-27 signaling / triglyceride mobilization ...Regulation of IFNG signaling / PTK6 Activates STAT3 / IL-6-type cytokine receptor ligand interactions / leukemia inhibitory factor receptor activity / oncostatin-M receptor activity / MAPK3 (ERK1) activation / MAPK1 (ERK2) activation / Interferon gamma signaling / Interleukin-27 signaling / triglyceride mobilization / Interleukin-6 signaling / Interleukin-35 Signalling / oncostatin-M receptor complex / Interferon alpha/beta signaling / oncostatin-M-mediated signaling pathway / Inactivation of CSF3 (G-CSF) signaling / ciliary neurotrophic factor receptor activity / ciliary neurotrophic factor receptor binding / negative regulation of interleukin-6-mediated signaling pathway / leukemia inhibitory factor signaling pathway / interleukin-6 receptor activity / interleukin-6 binding / ciliary neurotrophic factor receptor complex / interleukin-27-mediated signaling pathway / ciliary neurotrophic factor-mediated signaling pathway / interleukin-6 receptor complex / negative regulation of tyrosine phosphorylation of STAT protein / regulation of Notch signaling pathway / interleukin-6 receptor binding / interleukin-11-mediated signaling pathway / cellular response to interleukin-17 / branching involved in labyrinthine layer morphogenesis / placenta blood vessel development / Neddylation / positive regulation of astrocyte differentiation / Antigen processing: Ubiquitination & Proteasome degradation / intestinal epithelial cell development / protein tyrosine kinase inhibitor activity / negative regulation of receptor signaling pathway via JAK-STAT / 1-phosphatidylinositol-3-kinase regulator activity / phosphatidylinositol 3-kinase complex / miRNA binding / cytokine receptor activity / neuronal cell body membrane / glycogen metabolic process / interleukin-6-mediated signaling pathway / positive regulation of Notch signaling pathway / negative regulation of cytosolic calcium ion concentration / protein tyrosine kinase activator activity / cytokine binding / positive regulation of smooth muscle cell migration / growth factor binding / phosphatidylinositol phosphate biosynthetic process / cell surface receptor signaling pathway via JAK-STAT / positive regulation of osteoblast differentiation / coreceptor activity / negative regulation of signal transduction / positive regulation of T cell proliferation / positive regulation of tyrosine phosphorylation of STAT protein / negative regulation of insulin receptor signaling pathway / phosphotyrosine residue binding / cellular response to leukemia inhibitory factor / response to cytokine / positive regulation of cell differentiation / regulation of protein phosphorylation / cytoplasmic side of plasma membrane / cytokine-mediated signaling pathway / negative regulation of inflammatory response / cell body / scaffold protein binding / negative regulation of neuron apoptotic process / cell differentiation / receptor complex / protein ubiquitination / intracellular signal transduction / membrane raft / external side of plasma membrane / neuronal cell body / dendrite / positive regulation of cell population proliferation / signal transduction / extracellular space / identical protein binding / plasma membrane / cytosol
Similarity search - Function
Suppressor of cytokine signalling 3 / SOCS3, SH2 domain / suppressors of cytokine signalling / SOCS box-like domain superfamily / SOCS box domain / SOCS box domain profile. / SOCS_box / Type I cytokine receptor, cytokine-binding domain / Interleukin-6 receptor alpha chain, binding / Immunoglobulin C2-set-like, ligand-binding ...Suppressor of cytokine signalling 3 / SOCS3, SH2 domain / suppressors of cytokine signalling / SOCS box-like domain superfamily / SOCS box domain / SOCS box domain profile. / SOCS_box / Type I cytokine receptor, cytokine-binding domain / Interleukin-6 receptor alpha chain, binding / Immunoglobulin C2-set-like, ligand-binding / Ig-like C2-type domain / Long hematopoietin receptor, Gp130 family 2, conserved site / Long hematopoietin receptor, gp130 family signature. / SH2 domain / SHC Adaptor Protein / Fibronectin type III domain / Fibronectin type 3 domain / Fibronectin type-III domain profile. / Fibronectin type III / Fibronectin type III superfamily / SH2 domain / Src homology 2 (SH2) domain profile. / Src homology 2 domains / SH2 domain / SH2 domain superfamily / Immunoglobulin-like fold / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Suppressor of cytokine signaling 3 / Interleukin-6 receptor subunit beta
Similarity search - Component
Biological speciesMus musculus (house mouse)
MethodSOLUTION NMR / simulated annealing distance geometry torsion angle dynamics
AuthorsBabon, J.J. / Yao, S. / Norton, R.S.
CitationJournal: Mol.Cell / Year: 2006
Title: The Structure of SOCS3 Reveals the Basis of the Extended SH2 Domain Function and Identifies an Unstructured Insertion That Regulates Stability
Authors: Babon, J.J. / McManus, E.J. / Yao, S. / DeSouza, D.P. / Mielke, L.A. / Sprigg, N.S. / Willson, T.A. / Hilton, D.J. / Nicola, N.A. / Baca, M. / Nicholson, S.E. / Norton, R.S.
History
DepositionOct 17, 2005Deposition site: RCSB / Processing site: PDBJ
Revision 1.0May 2, 2006Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 9, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_nmr_spectrometer / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _pdbx_nmr_spectrometer.model / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Suppressor of cytokine signaling 3
B: GP130 PHOSPHOPEPTIDE


Theoretical massNumber of molelcules
Total (without water)19,5672
Polymers19,5672
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 200structures with favorable non-bond energy
RepresentativeModel #1lowest energy

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Components

#1: Protein Suppressor of cytokine signaling 3 / SOCS-3 / Cytokine-inducible SH2 protein 3 / CIS-3 / Protein EF-10


Mass: 17961.236 Da / Num. of mol.: 1 / Fragment: KIR/ESS/SH2 DOMAIN/PEST MOTIF
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: SOCS3 / Plasmid: JLIC1 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: O35718
#2: Protein/peptide GP130 PHOSPHOPEPTIDE


Mass: 1605.573 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: SYNTHETIC PHOSPHOPEPTIDE / References: UniProt: Q00560*PLUS

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1113D 15N-separated NOESY
1223D 15N-separated NOESY
1333D 13C-separated NOESY
1452D NOESY
1552D TOCSY
1642D NOESY

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Sample preparation

Details
Solution-IDContentsSolvent system
10.3mM U-15N-13C-SOCS3/0.3mM phophopeptide, 20mM Na-phosphate, pH 6.7, 2mM DTT, 1mM edta, 50mM glutamate, 50mM Arginine, 5% D2O95% H20, 5% D2O
20.3mM U-15N-SOCS3/0.3mM phophopeptide, 20mM Na-phosphate, pH 6.7, 2mM DTT, 1mM edta, 50mM glutamate, 50mM Arginine, 5% D2O95% H20, 5% D2O
30.3mM U-13C-SOCS3/0.3mM phophopeptide, 20mM Na-phosphate, pH 6.7, 2mM DTT, 1mM edta, 50mM glutamate, 50mM Arginine, 5% D2O95% H20, 5% D2O
40.3mM SOCS3/0.3mM phophopeptide, 20mM Na-phosphate, pH 6.7, 2mM DTT, 1mM edta, 50mM glutamate, 50mM Arginine, 5% D2O95% H20, 5% D2O
50.3mM SOCS3/0.3mM phophopeptide, 20mM Na-phosphate, pH 6.7, 2mM DTT, 1mM edta, 50mM glutamate, 50mM Arginine, 5% D2O100% D2O
Sample conditionsIonic strength: 50mM / pH: 6.7 / Pressure: 1 atm / Temperature: 298 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AVANCEBrukerAVANCE5001
Bruker DRXBrukerDRX6002
Varian INOVAVarianINOVA8003

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Processing

NMR software
NameDeveloperClassification
NMRPipeDeLagliodata analysis
XwinNMRcollection
X-PLORstructure solution
X-PLORrefinement
RefinementMethod: simulated annealing distance geometry torsion angle dynamics
Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with favorable non-bond energy
Conformers calculated total number: 200 / Conformers submitted total number: 20

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