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- PDB-2k0f: Calmodulin complexed with calmodulin-binding peptide from smooth ... -

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Basic information

Entry
Database: PDB / ID: 2k0f
TitleCalmodulin complexed with calmodulin-binding peptide from smooth muscle myosin light chain kinase
Components
  • 19-mer peptide from Myosin light chain kinase
  • calmodulin
KeywordsMETAL BINDING PROTEIN / EF HANDS / ENSEMBLE / HELIX BUNDLE / CALCIUM BINDING
Function / homology
Function and homology information


aorta smooth muscle tissue morphogenesis / tonic smooth muscle contraction / myosin-light-chain kinase / myosin light chain kinase activity / cellular hypotonic response / : / bleb assembly / establishment of protein localization to mitochondrial membrane / type 3 metabotropic glutamate receptor binding / positive regulation of calcium ion transport ...aorta smooth muscle tissue morphogenesis / tonic smooth muscle contraction / myosin-light-chain kinase / myosin light chain kinase activity / cellular hypotonic response / : / bleb assembly / establishment of protein localization to mitochondrial membrane / type 3 metabotropic glutamate receptor binding / positive regulation of calcium ion transport / CaM pathway / Cam-PDE 1 activation / Sodium/Calcium exchangers / Calmodulin induced events / Reduction of cytosolic Ca++ levels / Activation of Ca-permeable Kainate Receptor / CREB1 phosphorylation through the activation of CaMKII/CaMKK/CaMKIV cascasde / regulation of synaptic vesicle endocytosis / Loss of phosphorylation of MECP2 at T308 / CREB1 phosphorylation through the activation of Adenylate Cyclase / PKA activation / negative regulation of high voltage-gated calcium channel activity / regulation of synaptic vesicle exocytosis / CaMK IV-mediated phosphorylation of CREB / Glycogen breakdown (glycogenolysis) / negative regulation of calcium ion export across plasma membrane / organelle localization by membrane tethering / Activation of RAC1 downstream of NMDARs / regulation of cardiac muscle cell action potential / mitochondrion-endoplasmic reticulum membrane tethering / CLEC7A (Dectin-1) induces NFAT activation / autophagosome membrane docking / response to corticosterone / positive regulation of wound healing / positive regulation of ryanodine-sensitive calcium-release channel activity / Negative regulation of NMDA receptor-mediated neuronal transmission / nitric-oxide synthase binding / regulation of cell communication by electrical coupling involved in cardiac conduction / Unblocking of NMDA receptors, glutamate binding and activation / negative regulation of peptidyl-threonine phosphorylation / Synthesis of IP3 and IP4 in the cytosol / Phase 0 - rapid depolarisation / protein phosphatase activator activity / RHO GTPases activate PAKs / cleavage furrow / positive regulation of cyclic-nucleotide phosphodiesterase activity / positive regulation of phosphoprotein phosphatase activity / Long-term potentiation / Ion transport by P-type ATPases / Uptake and function of anthrax toxins / adenylate cyclase binding / Calcineurin activates NFAT / Regulation of MECP2 expression and activity / catalytic complex / DARPP-32 events / detection of calcium ion / smooth muscle contraction / Smooth Muscle Contraction / negative regulation of ryanodine-sensitive calcium-release channel activity / RHO GTPases activate IQGAPs / cellular response to interferon-beta / regulation of cardiac muscle contraction / calcium channel inhibitor activity / regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion / positive regulation of DNA binding / Protein methylation / enzyme regulator activity / voltage-gated potassium channel complex / phosphatidylinositol 3-kinase binding / Activation of AMPK downstream of NMDARs / eNOS activation / regulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum / stress fiber / regulation of calcium-mediated signaling / positive regulation of protein dephosphorylation / titin binding / regulation of ryanodine-sensitive calcium-release channel activity / Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation / Ion homeostasis / positive regulation of protein autophosphorylation / sperm midpiece / response to amphetamine / calcium channel complex / activation of adenylate cyclase activity / substantia nigra development / adenylate cyclase activator activity / Ras activation upon Ca2+ influx through NMDA receptor / regulation of heart rate / nitric-oxide synthase regulator activity / protein serine/threonine kinase activator activity / sarcomere / FCERI mediated Ca+2 mobilization / FCGR3A-mediated IL10 synthesis / VEGFR2 mediated vascular permeability / positive regulation of peptidyl-threonine phosphorylation / Antigen activates B Cell Receptor (BCR) leading to generation of second messengers / VEGFR2 mediated cell proliferation / regulation of cytokinesis / positive regulation of nitric-oxide synthase activity / Translocation of SLC2A4 (GLUT4) to the plasma membrane
Similarity search - Function
Myosin Light Chain Kinase 1, Kinase domain / Unstructured linker between I-set domains 2 and 3 on MYLCK / Immunoglobulin I-set / Immunoglobulin I-set domain / Fibronectin type III domain / Fibronectin type 3 domain / Immunoglobulin subtype 2 / Immunoglobulin C-2 Type / EF-hand domain pair / Fibronectin type-III domain profile. ...Myosin Light Chain Kinase 1, Kinase domain / Unstructured linker between I-set domains 2 and 3 on MYLCK / Immunoglobulin I-set / Immunoglobulin I-set domain / Fibronectin type III domain / Fibronectin type 3 domain / Immunoglobulin subtype 2 / Immunoglobulin C-2 Type / EF-hand domain pair / Fibronectin type-III domain profile. / Fibronectin type III / Fibronectin type III superfamily / EF-hand, calcium binding motif / EF-Hand 1, calcium-binding site / EF-hand calcium-binding domain. / EF-hand calcium-binding domain profile. / EF-hand domain / EF-hand domain pair / Immunoglobulin subtype / Immunoglobulin / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Immunoglobulin-like fold / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily
Similarity search - Domain/homology
Calmodulin-1 / Myosin light chain kinase, smooth muscle / Calmodulin-3 / Myosin light chain kinase, smooth muscle
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodSOLUTION NMR / CHARMM
Model detailsSTRUCTURAL ENSEMBLE OF CALMODULIN COMPLEXED WITH CALMODULIN-BINDING PEPTIDE FROM SMOOTH MUSCLE ...STRUCTURAL ENSEMBLE OF CALMODULIN COMPLEXED WITH CALMODULIN-BINDING PEPTIDE FROM SMOOTH MUSCLE MYOSIN LIGHT CHAIN KINASE DETERMINED WITH MUMO
AuthorsGsponer, J. / Christodoulou, J. / Cavalli, A. / Bui, J.M. / Richter, B. / Dobson, C.M. / Vendruscolo, M.
CitationJournal: Structure / Year: 2008
Title: A coupled equilibrium shift mechanism in calmodulin-mediated signal transduction
Authors: Gsponer, J. / Christodoulou, J. / Cavalli, A. / Bui, J.M. / Richter, B. / Dobson, C.M. / Vendruscolo, M.
History
DepositionFeb 2, 2008Deposition site: BMRB / Processing site: RCSB
Revision 1.0Jun 10, 2008Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Oct 20, 2021Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly ...database_2 / pdbx_struct_assembly / pdbx_struct_oper_list / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: calmodulin
B: 19-mer peptide from Myosin light chain kinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)19,0966
Polymers18,9362
Non-polymers1604
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)160 / 160all calculated structures submitted
RepresentativeModel #1

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Components

#1: Protein calmodulin /


Mass: 16721.350 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CALM1, CALM, CAM, CAM1 / Production host: Escherichia coli (E. coli) / References: UniProt: P62158, UniProt: P0DP23*PLUS
#2: Protein/peptide 19-mer peptide from Myosin light chain kinase / 19-mer peptide from Telokin / 19-mer peptide from Kinase-related protein


Mass: 2214.601 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: sequence occurs naturally in humans / References: UniProt: Q15746, UniProt: P11799*PLUS
#3: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Ca

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
Details: STRUCTURAL ENSEMBLE OF CALMODULIN COMPLEXED WITH CALMODULIN-BINDING PEPTIDE FROM SMOOTH MUSCLE MYOSIN LIGHT CHAIN KINASE DETERMINED WITH MUMO

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Sample preparation

Sample conditionsPressure units: atm / Temperature units: K

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NMR measurement

NMR spectrometerType: NULL NULL

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Processing

NMR softwareName: CHARMM / Version: C30
Developer: B.R.BROOKS, R.E.BRUCCOLERI, B.D.OLAFSON,D.J.STATES, S.SWAMINATHAN, M.KARLPLUS
Classification: refinement
RefinementMethod: CHARMM / Software ordinal: 1
Details: PROGRAM : CHARMM C30 AUTHORS : B.R.BROOKS, R.E.BRUCCOLERI, B.D.OLAFSON,D.J.STATES, S.SWAMINATHAN, M.KARLPLUS
NMR ensembleConformer selection criteria: all calculated structures submitted
Conformers calculated total number: 160 / Conformers submitted total number: 160

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