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- PDB-2row: The C1 domain of ROCK II -

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Basic information

Entry
Database: PDB / ID: 2row
TitleThe C1 domain of ROCK II
ComponentsRho-associated protein kinase 2
KeywordsTRANSFERASE / protein / ATP-binding / Coiled coil / Cytoplasm / Kinase / Membrane / Metal-binding / Nucleotide-binding / Phorbol-ester binding / Phosphoprotein / Serine/threonine-protein kinase / Zinc / Zinc-finger
Function / homology
Function and homology information


RHOBTB1 GTPase cycle / RHO GTPases Activate ROCKs / Sema4D induced cell migration and growth-cone collapse / VEGFA-VEGFR2 Pathway / RHOB GTPase cycle / positive regulation of connective tissue growth factor production / cellular response to acetylcholine / G alpha (12/13) signalling events / RHOH GTPase cycle / positive regulation of centrosome duplication ...RHOBTB1 GTPase cycle / RHO GTPases Activate ROCKs / Sema4D induced cell migration and growth-cone collapse / VEGFA-VEGFR2 Pathway / RHOB GTPase cycle / positive regulation of connective tissue growth factor production / cellular response to acetylcholine / G alpha (12/13) signalling events / RHOH GTPase cycle / positive regulation of centrosome duplication / postsynaptic actin cytoskeleton organization / regulation of angiotensin-activated signaling pathway / RHOA GTPase cycle / negative regulation of protein localization to lysosome / regulation of keratinocyte differentiation / positive regulation of connective tissue replacement / positive regulation of fibroblast growth factor production / response to transforming growth factor beta / positive regulation of amyloid precursor protein catabolic process / regulation of cell junction assembly / negative regulation of bicellular tight junction assembly / regulation of nervous system process / positive regulation of protein localization to early endosome / regulation of cellular response to hypoxia / negative regulation of nitric oxide biosynthetic process / embryonic morphogenesis / EPHB-mediated forward signaling / cellular response to testosterone stimulus / spindle pole centrosome / regulation of establishment of endothelial barrier / regulation of synapse maturation / actomyosin structure organization / response to angiotensin / chromosome condensation / cortical actin cytoskeleton organization / dendrite morphogenesis / positive regulation of amyloid-beta formation / positive regulation of cardiac muscle hypertrophy / mRNA destabilization / mitotic cytokinesis / presynaptic active zone / centrosome duplication / extrinsic apoptotic signaling pathway via death domain receptors / smooth muscle contraction / endopeptidase activator activity / epithelial to mesenchymal transition / Rho protein signal transduction / positive regulation of stress fiber assembly / positive regulation of endothelial cell migration / negative regulation of angiogenesis / blood vessel diameter maintenance / response to ischemia / protein localization to plasma membrane / regulation of actin cytoskeleton organization / neural tube closure / regulation of circadian rhythm / neuromuscular junction / Schaffer collateral - CA1 synapse / small GTPase binding / cytoplasmic ribonucleoprotein granule / kinase activity / rhythmic process / actin cytoskeleton organization / protease binding / eukaryotic translation initiation factor 2alpha kinase activity / cytoskeleton / 3-phosphoinositide-dependent protein kinase activity / DNA-dependent protein kinase activity / ribosomal protein S6 kinase activity / histone H3S10 kinase activity / histone H2AXS139 kinase activity / histone H3S28 kinase activity / histone H4S1 kinase activity / histone H2BS14 kinase activity / histone H3T3 kinase activity / histone H2AS121 kinase activity / Rho-dependent protein serine/threonine kinase activity / histone H2BS36 kinase activity / histone H3S57 kinase activity / histone H2AT120 kinase activity / AMP-activated protein kinase activity / histone H2AS1 kinase activity / histone H3T6 kinase activity / histone H3T11 kinase activity / histone H3T45 kinase activity / non-specific serine/threonine protein kinase / protein kinase activity / positive regulation of MAPK cascade / postsynaptic density / positive regulation of cell migration / negative regulation of gene expression / protein serine kinase activity / protein serine/threonine kinase activity / centrosome / positive regulation of gene expression / glutamatergic synapse / zinc ion binding / ATP binding / nucleus / plasma membrane
Similarity search - Function
: / Rho-associated protein kinase 2, HR1 domain / ROCK, Rho binding domain / Rho-associated protein kinase 1/2 / Rho Binding / Rho-binding (RhoBD) domain profile. / Wheat Germ Agglutinin (Isolectin 2); domain 1 - #20 / : / HR1 rho-binding domain / REM-1 domain profile. ...: / Rho-associated protein kinase 2, HR1 domain / ROCK, Rho binding domain / Rho-associated protein kinase 1/2 / Rho Binding / Rho-binding (RhoBD) domain profile. / Wheat Germ Agglutinin (Isolectin 2); domain 1 - #20 / : / HR1 rho-binding domain / REM-1 domain profile. / Wheat Germ Agglutinin (Isolectin 2); domain 1 / Zinc finger phorbol-ester/DAG-type profile. / Protein kinase C conserved region 1 (C1) domains (Cysteine-rich domains) / Protein kinase C-like, phorbol ester/diacylglycerol-binding domain / C1-like domain superfamily / Extension to Ser/Thr-type protein kinases / AGC-kinase, C-terminal / AGC-kinase C-terminal domain profile. / PH domain profile. / Pleckstrin homology domain. / Pleckstrin homology domain / PH-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. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Rho-associated protein kinase 2
Similarity search - Component
Biological speciesRattus norvegicus (Norway rat)
MethodSOLUTION NMR / simulated annealing
AuthorsWen, W. / Zhang, M.
CitationJournal: To be Published
Title: The C1 domain of ROCK II
Authors: Wen, W. / Liu, W. / Yan, J. / Zhang, M.
History
DepositionApr 25, 2008Deposition site: BMRB / Processing site: PDBJ
Revision 1.0Jun 24, 2008Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Mar 16, 2022Group: 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
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: Rho-associated protein kinase 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)10,1373
Polymers10,0061
Non-polymers1312
Water00
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 the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein Rho-associated protein kinase 2 / Rho-associated / coiled-coil-containing protein kinase 2 / p164 ROCK-2 / RhoA-binding kinase 2 / ...Rho-associated / coiled-coil-containing protein kinase 2 / p164 ROCK-2 / RhoA-binding kinase 2 / p150 ROK-alpha / ROKalpha


Mass: 10005.706 Da / Num. of mol.: 1 / Fragment: C1 domain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Rock2 / Production host: Escherichia coli (E. coli)
References: UniProt: Q62868, non-specific serine/threonine protein kinase
#2: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1113D 1H-15N NOESY
1223D 1H-13C NOESY
1333D CBCA(CO)NH
1433D HN(CA)CB

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Sample preparation

Details
Solution-IDContentsSolvent system
11 mM [U-100% 15N] protein, 90% H2O/10% D2O90% H2O/10% D2O
21 mM [U-100% 13C] protein, 100% D2O100% D2O
31 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O90% H2O/10% D2O
Sample
Conc. (mg/ml)ComponentIsotopic labelingSolution-ID
1 mMprotein[U-100% 15N]1
1 mMprotein[U-100% 13C]2
1 mMprotein[U-100% 13C; U-100% 15N]3
Sample conditionsIonic strength: 0.5 / pH: 5.5 / Pressure: ambient / Temperature: 298 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
CNS1.1refinement
CYANAGuntert, Mumenthaler and Wuthrichprocessing
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 200 / Conformers submitted total number: 20 / Representative conformer: 1

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