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Yorodumi- PDB-6ewv: Solution Structure of Docking Domain Complex of RXP NRPS: Kj12C N... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6ewv | ||||||
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Title | Solution Structure of Docking Domain Complex of RXP NRPS: Kj12C NDD - Kj12B CDD | ||||||
Components | NRPS Kj12C-NDD, NRPS Kj12B-CDD | ||||||
Keywords | PEPTIDE BINDING PROTEIN / PROTEIN / Solution Structure / Rhabdopeptide / Docking Domains | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Xenorhabdus stockiae (bacteria) | ||||||
Method | SOLUTION NMR / molecular dynamics | ||||||
Authors | Hacker, C. / Cai, X. / Kegler, C. / Zhao, L. / Weickhmann, A.K. / Bode, H.B. / Woehnert, J. | ||||||
Funding support | Germany, 1items
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Citation | Journal: Nat Commun / Year: 2018 Title: Structure-based redesign of docking domain interactions modulates the product spectrum of a rhabdopeptide-synthesizing NRPS. Authors: Hacker, C. / Cai, X. / Kegler, C. / Zhao, L. / Weickhmann, A.K. / Wurm, J.P. / Bode, H.B. / Wohnert, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6ewv.cif.gz | 598 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6ewv.ent.gz | 499.7 KB | Display | PDB format |
PDBx/mmJSON format | 6ewv.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ew/6ewv ftp://data.pdbj.org/pub/pdb/validation_reports/ew/6ewv | HTTPS FTP |
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-Related structure data
Related structure data | 6ewsC 6ewtC 6ewuC 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 | Mass: 11107.151 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Xenorhabdus stockiae (bacteria) Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) References: UniProt: A0A173DW42, UniProt: A0A173DW12 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details |
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Sample |
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Sample conditions | Details: 50 mM sodium phosphate buffer at pH 6.5 150 mM sodium chloride Ionic strength: 150 mM / Label: NMR buffer / pH: 6.5 / Pressure: AMBIENT Pa / Temperature: 293 K |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: molecular dynamics / Software ordinal: 1 | ||||||||||||||||||||||||||||
NMR representative | Selection criteria: minimized average structure | ||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the least restraint violations Conformers calculated total number: 100 / Conformers submitted total number: 20 |