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Yorodumi- PDB-2llu: Post-translational S-nitrosylation is an endogenous factor fine-t... -
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-Basic information
Entry | Database: PDB / ID: 2llu | ||||||
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Title | Post-translational S-nitrosylation is an endogenous factor fine-tuning human S100A1 protein properties | ||||||
Components | Protein S100-A1 | ||||||
Keywords | METAL BINDING PROTEIN / Ca-binding proteins / S-nitrosylation | ||||||
Function / homology | Function and homology information RAGE receptor binding / Regulation of TLR by endogenous ligand / MyD88 deficiency (TLR2/4) / S100 protein binding / IRAK4 deficiency (TLR2/4) / MyD88:MAL(TIRAP) cascade initiated on plasma membrane / regulation of heart contraction / positive regulation of sprouting angiogenesis / substantia nigra development / positive regulation of nitric-oxide synthase activity ...RAGE receptor binding / Regulation of TLR by endogenous ligand / MyD88 deficiency (TLR2/4) / S100 protein binding / IRAK4 deficiency (TLR2/4) / MyD88:MAL(TIRAP) cascade initiated on plasma membrane / regulation of heart contraction / positive regulation of sprouting angiogenesis / substantia nigra development / positive regulation of nitric-oxide synthase activity / sarcoplasmic reticulum / calcium-dependent protein binding / ER-Phagosome pathway / ATPase binding / positive regulation of canonical NF-kappaB signal transduction / intracellular signal transduction / calcium ion binding / positive regulation of cell population proliferation / perinuclear region of cytoplasm / Golgi apparatus / protein homodimerization activity / protein-containing complex / mitochondrion / extracellular space / extracellular region / nucleoplasm / identical protein binding / nucleus / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model 1 | ||||||
Authors | Lenarcic Zivkovic, M. / Zareba-Koziol, M. / Zhukova, L. / Poznanski, J. / Zhukov, I. / Wyslouch-Cieszynska, A. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2012 Title: Post-translational S-Nitrosylation Is an Endogenous Factor Fine Tuning the Properties of Human S100A1 Protein. Authors: Lenarcic Zivkovic, M. / Zareba-Koziol, M. / Zhukova, L. / Poznanski, J. / Zhukov, I. / Wyslouch-Cieszynska, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2llu.cif.gz | 1.1 MB | Display | PDBx/mmCIF format |
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PDB format | pdb2llu.ent.gz | 933.5 KB | Display | PDB format |
PDBx/mmJSON format | 2llu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2llu_validation.pdf.gz | 480.4 KB | Display | wwPDB validaton report |
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Full document | 2llu_full_validation.pdf.gz | 1.7 MB | Display | |
Data in XML | 2llu_validation.xml.gz | 268.4 KB | Display | |
Data in CIF | 2llu_validation.cif.gz | 192.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ll/2llu ftp://data.pdbj.org/pub/pdb/validation_reports/ll/2llu | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 10425.588 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: S100A1, S100A / Production host: Escherichia coli (E. coli) / References: UniProt: P23297 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 0.8 mM [U-98% 13C; U-98% 15N] protein, 90% H2O/10% D2O Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 0.8 mM / Component: entity-1 / Isotopic labeling: [U-98% 13C; U-98% 15N] |
Sample conditions | Ionic strength: 150 / pH: 7.2 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Varian Uniform NMR System / Manufacturer: Varian / Model: Uniform NMR System / Field strength: 800 MHz |
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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: 200 / Conformers submitted total number: 20 |