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- PDB-2kjy: MYPT1(658-714) -

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Basic information

Entry
Database: PDB / ID: 2kjy
TitleMYPT1(658-714)
ComponentsProtein phosphatase 1 regulatory subunit 12A
KeywordsSIGNALING PROTEIN / MYPT1 / phosphorylation / protein phosphatase 1 / myosin phosphatase / Alternative splicing / ANK repeat / Cytoplasm / Phosphoprotein / Polymorphism
Function / homology
Function and homology information


regulation of myosin-light-chain-phosphatase activity / positive regulation of myosin-light-chain-phosphatase activity / phosphatase regulator activity / PTW/PP1 phosphatase complex / contractile muscle fiber / regulation of nucleocytoplasmic transport / negative regulation of catalytic activity / RHO GTPases Activate ROCKs / RHO GTPases activate CIT / enzyme inhibitor activity ...regulation of myosin-light-chain-phosphatase activity / positive regulation of myosin-light-chain-phosphatase activity / phosphatase regulator activity / PTW/PP1 phosphatase complex / contractile muscle fiber / regulation of nucleocytoplasmic transport / negative regulation of catalytic activity / RHO GTPases Activate ROCKs / RHO GTPases activate CIT / enzyme inhibitor activity / centrosome cycle / A band / RHO GTPases activate PAKs / regulation of cell adhesion / stress fiber / RHO GTPases activate PKNs / 14-3-3 protein binding / protein dephosphorylation / kinetochore / Z disc / Regulation of PLK1 Activity at G2/M Transition / actin cytoskeleton / cellular response to xenobiotic stimulus / mitotic cell cycle / focal adhesion / centrosome / nucleolus / protein kinase binding / signal transduction / positive regulation of transcription by RNA polymerase II / nucleoplasm / plasma membrane / cytosol / cytoplasm
Similarity search - Function
Helix Hairpins - #390 / Protein phosphatase 1 regulatory subunit 12A/B/C / cGMP-dependent protein kinase, interacting domain / cGMP-dependent protein kinase interacting domain / Helix Hairpins / Helix non-globular / Ankyrin repeats (3 copies) / Ankyrin repeat profile. / Ankyrin repeat region circular profile. / ankyrin repeats ...Helix Hairpins - #390 / Protein phosphatase 1 regulatory subunit 12A/B/C / cGMP-dependent protein kinase, interacting domain / cGMP-dependent protein kinase interacting domain / Helix Hairpins / Helix non-globular / Ankyrin repeats (3 copies) / Ankyrin repeat profile. / Ankyrin repeat region circular profile. / ankyrin repeats / Ankyrin repeat / Ankyrin repeat-containing domain superfamily / Special
Similarity search - Domain/homology
Protein phosphatase 1 regulatory subunit 12A
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodSOLUTION NMR / DGSA-distance geometry simulated annealing
Model detailsminimized average, model 1
AuthorsMori, S. / Iwaoka, R. / Eto, M. / Ohki, S.
CitationJournal: Proteins / Year: 2009
Title: Solution structure of the inhibitory phosphorylation domain of myosin phosphatase targeting subunit 1
Authors: Mori, S. / Iwaoka, R. / Eto, M. / Ohki, S.Y.
History
DepositionJun 11, 2009Deposition site: BMRB / Processing site: PDBJ
Revision 1.0Sep 8, 2009Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Mar 16, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _struct_ref_seq_dif.details
Revision 1.3May 29, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Protein phosphatase 1 regulatory subunit 12A


Theoretical massNumber of molelcules
Total (without water)6,9651
Polymers6,9651
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 / 100structures with the lowest energy
RepresentativeModel #1minimized average

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Components

#1: Protein Protein phosphatase 1 regulatory subunit 12A / Myosin phosphatase-targeting subunit 1 / Myosin phosphatase target subunit 1 / Protein phosphatase ...Myosin phosphatase-targeting subunit 1 / Myosin phosphatase target subunit 1 / Protein phosphatase myosin-binding subunit


Mass: 6964.675 Da / Num. of mol.: 1 / Fragment: UNP residues 658- 714
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PPP1R12A, MBS, MYPT1 / Plasmid: pET / Production host: Escherichia coli (E. coli) / References: UniProt: O14974

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D 1H-15N HSQC
1213D CBCA(CO)NH
1313D HN(CA)CB
1413D HNCA
1513D C(CO)NH
1613D H(CCO)NH
1713D (H)CCH-TOCSY
1813D 1H-15N NOESY
1912D 1H-1H NOESY
11013D 1H-15N TOCSY

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Sample preparation

DetailsContents: 0.6-1.0mM MYPT1(658-714)-1, 0.6-1.0mM [U-99% 15N] MYPT1(658-714)-2, 0.6-1.0mM [U-99% 13C; U-99% 15N] MYPT1(658-714)-3, 90% H2O/10% D2O
Solvent system: 90% H2O/10% D2O
Sample
UnitsComponentIsotopic labelingConc. range (mg/ml)Solution-ID
mMMYPT1(658-714)-10.6-1.01
mMMYPT1(658-714)-2[U-99% 15N]0.6-1.01
mMMYPT1(658-714)-3[U-99% 13C; U-99% 15N]0.6-1.01
Sample conditionsIonic strength: KCl @100 / pH: 6.0 / Pressure: ambient / Temperature: 285 K

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NMR measurement

NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 750 MHz

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Processing

NMR software
NameVersionDeveloperClassification
X-PLOR NIH2.1Schwieters, Kuszewski, Tjandra, Clorestructure solution
X-PLOR NIH2.1Schwieters, Kuszewski, Tjandra, Clorerefinement
RefinementMethod: DGSA-distance geometry simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: minimized average
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 100 / Conformers submitted total number: 20 / Representative conformer: 1

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