+Open data
-Basic information
Entry | Database: PDB / ID: 6ucr | ||||||
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Title | Structure of ClpC1-NTD L92S L96P | ||||||
Components | Negative regulator of genetic competence ClpC/mecB | ||||||
Keywords | CHAPERONE / ClpC1-NTD / ATPase / Mycobacterium tuberculosis | ||||||
Function / homology | Function and homology information protein folding chaperone / peptidoglycan-based cell wall / protein homodimerization activity / ATP hydrolysis activity / ATP binding / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | Mycobacterium tuberculosis H37Rv (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Abad-Zapatero, C. / Wolf, N.M. | ||||||
Funding support | United States, 1items
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Citation | Journal: Acta Crystallogr D Struct Biol / Year: 2020 Title: Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions. Authors: Wolf, N.M. / Lee, H. / Zagal, D. / Nam, J.W. / Oh, D.C. / Lee, H. / Suh, J.W. / Pauli, G.F. / Cho, S. / Abad-Zapatero, C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6ucr.cif.gz | 46 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6ucr.ent.gz | 30.3 KB | Display | PDB format |
PDBx/mmJSON format | 6ucr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6ucr_validation.pdf.gz | 263.1 KB | Display | wwPDB validaton report |
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Full document | 6ucr_full_validation.pdf.gz | 263.1 KB | Display | |
Data in XML | 6ucr_validation.xml.gz | 1 KB | Display | |
Data in CIF | 6ucr_validation.cif.gz | 3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uc/6ucr ftp://data.pdbj.org/pub/pdb/validation_reports/uc/6ucr | HTTPS FTP |
-Related structure data
Related structure data | 6pbaC 6pbqC 6pbsC 6cn8S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 17487.008 Da / Num. of mol.: 1 / Fragment: N-terminal domain (UNP residues 1-145) / Mutation: L92S, L96P Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis H37Rv (bacteria) Strain: H37Rv / Gene: clpC, ERS007720_03236 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0U0SI28, UniProt: P9WPC9*PLUS |
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#2: Chemical | ChemComp-ACT / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.36 Å3/Da / Density % sol: 47.86 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop Details: 0.1 M HEPES, pH 7.5, 10% PEG8000, 8% ethylene glycol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jun 4, 2019 |
Radiation | Monochromator: diamond(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97872 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→40 Å / Num. obs: 7594 / % possible obs: 96.4 % / Redundancy: 12.7 % / CC1/2: 0.995 / Rpim(I) all: 0.028 / Rrim(I) all: 0.1 / Net I/σ(I): 56.1 |
Reflection shell | Resolution: 2.3→2.34 Å / Mean I/σ(I) obs: 27.2 / Num. unique obs: 376 / CC1/2: 0.99 / Rpim(I) all: 0.068 / Rrim(I) all: 0.253 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 6CN8 Resolution: 2.3→40 Å / Cross valid method: FREE R-VALUE
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Displacement parameters | Biso mean: 23.34 Å2 | ||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→40 Å
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Refine LS restraints |
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