diff --git a/STRENDADB_light_20240722.md b/STRENDADB_light_20240722.md new file mode 100644 index 0000000..ab7c56d --- /dev/null +++ b/STRENDADB_light_20240722.md @@ -0,0 +1,322 @@ +# STRENDA DB + +## Administration + +## Data + +### Publication + +This is the publication that includes the experimental results of an enzyme kinetics characterization. + +* **Title** + * type: string + * description: title of the publication +* DOI + * type: string + * description: identifier of the publication +* PMID + * type: string + * description: identifier of the publication as indexed in PubMed +* Author + * type: Author + * Multiple: true +* Experiment + * type: Experiment + * Multiple: true + +### Author + +* **Name** + * type: string + * description: name of the author. Nomenclature: Family name initials first name +* Affiliation + * type: string + * description: name of organizaton, department, city, country +* Email + * type: string + * description: email address +* ORCID + * type: string + * description: ORCID idenfier + +### Experiment + +* Name of Experiment + * type: string + * description: name of the experiment, just for internal purposes +* Type of Assay + * type: string + * description: name of the assay +* Direction of the Assay + * type: string + * description: +* Definition of the compound monitored + * type: string + * description: +* Continuously monitored + * type: string + * description: selection of the stopping procedure + * type: string + * description: other + * type: string +* Directly monitored + * type: string +* Protein Assay + * type: ProteinDescription + * Multiple: false + +### ProteinDescription + +* UniProtKB AC + * type: string + * description: identifier obtained from UniProtKB +* Protein name + * type: string + * description: name of the protein as of UniProtKB +* Protein Sequence + * type: SequenceModifications + * description: amino acid sequence as from UniProtKB +* Modifications + * type: Modifications +* Protein Source + * type: ProteinSource +* Reaction + * type: ProteinReaction +* Protein characterization + * type: Dataset + * Multiple: true + +### ProteinSource + +* Expression system + * type: string + * description: description of expression system if heterologously expressed +* Organism + * type: string + * description: as in UniProtKB provided, name of organism +* Taxon ID + * type: string + * description: ID as obtained from NCBI Taxonomy +* Strain + * type: string + * description: name or identifier of the strain +* Cell Type + * type: string + * description: determination of the cell in which the protein is expressed +* Tissue + * type: string + * description: determination of the tissue, ideally BTO is used +* Localization + * type: string + * description: determination of the localization (membran, cytosol, etc.) + +### SequenceModifications + +* Sequence modification + * type: string + * description: modified amino acid sequence +* Specification of the type of modification + * type: string + * description: description of the types of modifications +* Determination of PTM + * type: string + * description: Phosphorylation, Glycosylation, Acetylation, Hydroxylation, Methylation, Other + +### ProteinReaction + +* EC number + * type: string + * description: EC number obtained from ExplorEnz +* Reaction as in ExplorEnz + * type: string + * description: reaction as described in ExplorEnz +* Comment + * type: string + * description: comment on the protein reaction if not properly described in ExplorEnz + +### Dataset + +* Name + * type: string + * description: name of the dataset +* Assay conditions + * type: AssayConditions + * Multiple: true +* Results Set + * type: ResultsSet + * Multiple: true +* DOI + * type: string + * description: DOI of the dataset + +### AssayConditions + +* Small Assay Components + * type: Small\_Assay\_Components + * description: description of the compound used in the assay +* Macromolecular Components + * type: Macromolecular\_Components + * description: description of the macromolecular components +* Concentration of the assayed protein + * type: string + * description: value with unit +* Description of concentration measurement + * type: string + * description: free text field +* pH + * type: string + * description: value and unit +* pD + * type: string + * description: value and unit +* Temperature + * type: string + * description: value and unit, K and Celsius + +### Small\_Assay\_Components + +* Role + * type: Role\_of\_Component + * description: role in the assay, i.e. substrate, product, etc. +* Initial concentration - fixed + * type: string + * description: unit, value +* Initial concentration - varied + * type: string + * description: concentration range, value, unit +* Compound name + * type: string + * description: name as obtained from PubChem +* InChi + * type: string + * description: InChi string +* IUPAC + * type: string + * description: IUPAC name +* ChEBI ID + * type: string + * description: identifier +* PubChem CID + * type: string + * description: identifier + +### Macromolecular\_Components + +* Role + * type: Role\_of\_Component + * description: role in the assay, i.e. substrate, product, etc. +* Initial concentration - fixed + * type: string + * description: unit, value +* Initial concentration - varied + * type: string + * description: concentration range, value, unit +* Class + * type: Class + * description: protein, carbohydrate, DNA, RNA, etc. +* Compound name + * type: string + * description: name as obtained from PubChem +* InChi + * type: string + * description: InChi string +* IUPAC + * type: string + * description: IUPAC name +* Database used + * type: string + * description: name of the database +* Identifier + * type: string + * description: identifier + +### Role\_of\_Component + +* Substrate + * type: string + * description: substrate of chemical reaction +* Product + * type: string + * description: production of chemical reaction +* Inhibitor + * type: string + * description: component that inhibits the chemical reaction +* Activator + * type: string + * description: component that activates/enhances the chemical reaction + +### Class + +* Protein + * type: string +* Carbohydrate + * type: string +* DNA + * type: string +* RNA + * type: string +* Lipid + * type: string +* Other + * type: string + +### ResultsSet + +* Initial Kinetic Parameters + * type: Initial\_Kinetics\_Parameters + * description: Km, kcat, V, kcat/Km, V/Km +* Activation + * type: Activation +* Inhibition + * type: Inhibition + * + +### Initial\_Kinetics\_Parameters + +* Km + * type: string + * descriptor: value, SE, unit +* kcat + * type: string + * descriptor: value, SE, unit +* V + * type: string + * descriptor: value, SE, unit +* kcat/Km + * type: string + * descriptor: value, SE, unit +* V/Km + * type: string + * descriptor: value, SE, unit + +### Activation + +* Affinity constant + * type: string + * descriptor: value, SE, unit, true or apparent +* Reaction velocity +* no activator + * type: string + * description: velocity without activator +* at max. concentration + * type: string + * description: velocity at maximum concentration of activator +* Saturation + * type: string + * description: statement whether the concentration was saturating or not +* Influence on substrate MM kinetics + * Km no activator + * type: string + * description: Value, SE, Unit, true/apparent + * at max. concentration + * type: string + * description: Value, SE, Unit, true/apparent + +### Inhibition + +* Reversibility\_yes + * type: string + * description: competitive, uncompetitive, mixed, kic, SE, Unit, Math function +* Reversibility\_no + * type: string + * description: ki, SE, Unit, Comment \ No newline at end of file