+Open data
-Basic information
Entry | Database: PDB / ID: 6cix | ||||||
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Title | Lactam cyclised mimetic of a fragment of p21 | ||||||
Components | p21 | ||||||
Keywords | BIOSYNTHETIC PROTEIN / PIP-box motif / p21 / constrained / peptidomimetic | ||||||
Function / homology | Function and homology information cyclin-dependent protein kinase activating kinase activity / cellular response to cell-matrix adhesion / negative regulation of cardiac muscle tissue regeneration / negative regulation of cyclin-dependent protein kinase activity / FOXO-mediated transcription of cell cycle genes / TFAP2 (AP-2) family regulates transcription of cell cycle factors / Defective binding of RB1 mutants to E2F1,(E2F2, E2F3) / PCNA-p21 complex / intestinal epithelial cell maturation / p53-Dependent G1 DNA Damage Response ...cyclin-dependent protein kinase activating kinase activity / cellular response to cell-matrix adhesion / negative regulation of cardiac muscle tissue regeneration / negative regulation of cyclin-dependent protein kinase activity / FOXO-mediated transcription of cell cycle genes / TFAP2 (AP-2) family regulates transcription of cell cycle factors / Defective binding of RB1 mutants to E2F1,(E2F2, E2F3) / PCNA-p21 complex / intestinal epithelial cell maturation / p53-Dependent G1 DNA Damage Response / regulation of cell cycle G1/S phase transition / tissue regeneration / Transcriptional regulation by RUNX2 / negative regulation of phosphorylation / negative regulation of DNA biosynthetic process / cyclin-dependent protein serine/threonine kinase inhibitor activity / response to arsenic-containing substance / negative regulation of vascular associated smooth muscle cell proliferation / Regulation of MITF-M-dependent genes involved in cell cycle and proliferation / positive regulation of programmed cell death / oncogene-induced cell senescence / Transcriptional activation of cell cycle inhibitor p21 / AKT phosphorylates targets in the cytosol / RUNX3 regulates CDKN1A transcription / Cyclin E associated events during G1/S transition / stress-induced premature senescence / DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediator / negative regulation of G1/S transition of mitotic cell cycle / response to aldosterone / response to corticosterone / cellular response to UV-B / regulation of cyclin-dependent protein serine/threonine kinase activity / molecular function inhibitor activity / TP53 Regulates Transcription of Genes Involved in G1 Cell Cycle Arrest / positive regulation of DNA replication / STAT5 activation downstream of FLT3 ITD mutants / protein kinase inhibitor activity / Cyclin A:Cdk2-associated events at S phase entry / cyclin-dependent protein kinase holoenzyme complex / regulation of G2/M transition of mitotic cell cycle / Constitutive Signaling by AKT1 E17K in Cancer / regulation of G1/S transition of mitotic cell cycle / mitotic G2 DNA damage checkpoint signaling / keratinocyte proliferation / cyclin binding / response to X-ray / replicative senescence / positive regulation of protein kinase activity / response to hyperoxia / intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / animal organ regeneration / positive regulation of B cell proliferation / keratinocyte differentiation / : / protein sequestering activity / Signaling by FLT3 fusion proteins / DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest / cellular response to amino acid starvation / intrinsic apoptotic signaling pathway / negative regulation of protein phosphorylation / DNA Damage/Telomere Stress Induced Senescence / negative regulation of protein binding / molecular function activator activity / cellular response to ionizing radiation / Transcriptional regulation of granulopoiesis / SCF(Skp2)-mediated degradation of p27/p21 / wound healing / Cyclin D associated events in G1 / G1/S transition of mitotic cell cycle / cellular senescence / negative regulation of cell growth / response to toxic substance / cellular response to gamma radiation / positive regulation of fibroblast proliferation / protein import into nucleus / The role of GTSE1 in G2/M progression after G2 checkpoint / positive regulation of reactive oxygen species metabolic process / KEAP1-NFE2L2 pathway / Signaling by ALK fusions and activated point mutants / Senescence-Associated Secretory Phenotype (SASP) / Neddylation / heart development / cellular response to heat / fibroblast proliferation / Ras protein signal transduction / Interleukin-4 and Interleukin-13 signaling / in utero embryonic development / nuclear body / regulation of cell cycle / positive regulation of protein phosphorylation / response to xenobiotic stimulus / negative regulation of cell population proliferation / negative regulation of gene expression / DNA damage response / ubiquitin protein ligase binding / negative regulation of apoptotic process / protein-containing complex binding / nucleolus / protein kinase binding / perinuclear region of cytoplasm Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Wegener, K.L. | ||||||
Citation | Journal: Chemistry / Year: 2018 Title: Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp. Authors: Wegener, K.L. / McGrath, A.E. / Dixon, N.E. / Oakley, A.J. / Scanlon, D.B. / Abell, A.D. / Bruning, J.B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6cix.cif.gz | 93.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6cix.ent.gz | 65.5 KB | Display | PDB format |
PDBx/mmJSON format | 6cix.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6cix_validation.pdf.gz | 400 KB | Display | wwPDB validaton report |
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Full document | 6cix_full_validation.pdf.gz | 484.9 KB | Display | |
Data in XML | 6cix_validation.xml.gz | 8.9 KB | Display | |
Data in CIF | 6cix_validation.cif.gz | 12.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ci/6cix ftp://data.pdbj.org/pub/pdb/validation_reports/ci/6cix | HTTPS FTP |
-Related structure data
Related structure data | 6cbiC 6cejC 6civC C: citing same article (ref.) |
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Similar structure data | |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1830.122 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: Residues K7 and E11 have been covalently joined as a lactam Source: (synth.) Homo sapiens (human) / References: UniProt: P38936*PLUS |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution / Contents: 1.4 mM ACR1, 0.1 mM DSS, 90% H2O/10% D2O / Label: ACR1 / Solvent system: 90% H2O/10% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 0 M / Label: ACR1 / pH: 5.9 / PH err: 0.01 / Pressure: 1 atm / Temperature: 298 K / Temperature err: 0.1 |
-NMR measurement
NMR spectrometer | Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz / Details: Cryoprobe |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | |||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |