+Open data
-Basic information
Entry | Database: PDB / ID: 6jtf | |||||||||
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Title | Complex of MarH and L-Trp | |||||||||
Components | Cupin superfamily protein | |||||||||
Keywords | ISOMERASE / Rmlc-like Cupins Superfamily / Complex / Epimerase | |||||||||
Function / homology | RmlC-like cupin domain superfamily / RmlC-like jelly roll fold / metal ion binding / TRYPTOPHAN / Cupin superfamily protein Function and homology information | |||||||||
Biological species | Streptomyces sp. B9173 (bacteria) | |||||||||
Method | SOLUTION NMR / simulated annealing | |||||||||
Authors | Liu, B. / Hu, K.F. / Zhang, R.D. | |||||||||
Funding support | China, 2items
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Citation | Journal: To Be Published Title: Structural of MarH in complex with L-Trp Authors: Liu, B. / Hu, K.F. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6jtf.cif.gz | 726.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6jtf.ent.gz | 604.6 KB | Display | PDB format |
PDBx/mmJSON format | 6jtf.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6jtf_validation.pdf.gz | 501.7 KB | Display | wwPDB validaton report |
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Full document | 6jtf_full_validation.pdf.gz | 621 KB | Display | |
Data in XML | 6jtf_validation.xml.gz | 28.7 KB | Display | |
Data in CIF | 6jtf_validation.cif.gz | 55.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jt/6jtf ftp://data.pdbj.org/pub/pdb/validation_reports/jt/6jtf | HTTPS FTP |
-Related structure data
Related structure data | |
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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 | Mass: 13323.285 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces sp. B9173 (bacteria) / Gene: marH / Production host: Escherichia coli (E. coli) / References: UniProt: X2D812 |
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#2: Chemical | ChemComp-ZN / |
#3: Chemical | ChemComp-TRP / |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution Contents: 0.5 mM [U-13C; U-15N] MarH, 2.0 mM L-Trp, 94% H2O/6% D2O Details: The complex between MarH and L-Trp was prepared by mixing ~0.5mM 13C/15N-labeled MarH and 2mM unlabeled L-Trp in sodium phosphate buffer (50mM pH 7.0 at room temperature) containing sodium ...Details: The complex between MarH and L-Trp was prepared by mixing ~0.5mM 13C/15N-labeled MarH and 2mM unlabeled L-Trp in sodium phosphate buffer (50mM pH 7.0 at room temperature) containing sodium azide (0.01%) in 94%H2O/6%D2O. Label: 13C,15N_MarH in complex with L-Trp / Solvent system: 94% H2O/6% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 50 mM / Label: conditions_1 / pH: 7 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 800 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 5 | ||||||||||||||||||
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 |