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Yorodumi- PDB-7any: Structure of the Laspartomycin C Friulimicin-like mutant in compl... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7any | ||||||
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Title | Structure of the Laspartomycin C Friulimicin-like mutant in complex with Geranyl phosphate | ||||||
Components | Laspartomycin C Friulimicin-like mutant | ||||||
Keywords | ANTIBIOTIC / Calcium-dependent antibiotic / Bacterial cell wall biosynthesis inhibitor / Lipopeptide antibiotic | ||||||
Function / homology | : / Geranyl phosphate Function and homology information | ||||||
Biological species | Streptomyces viridochromogenes (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.135 Å | ||||||
Authors | Zeronian, M.R. / Pearce, N.M. / Lutz, M. / Wood, T.M. / Martin, N.I. / Janssen, B.J.C. | ||||||
Citation | Journal: Chem Sci / Year: 2022 Title: Mechanistic insights into the C55-P targeting lipopeptide antibiotics revealed by structure-activity studies and high-resolution crystal structures Authors: Wood, T.M. / Zeronian, M.R. / Buijs, N. / Bertheussen, K. / Abedian, H.K. / Johnson, A.V. / Pearce, N.M. / Lutz, M. / Kemmink, J. / Seirsma, T. / Hamoen, L.W. / Janssen, B.J.C. / Martin, N.I. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7any.cif.gz | 59.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7any.ent.gz | 47.5 KB | Display | PDB format |
PDBx/mmJSON format | 7any.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/an/7any ftp://data.pdbj.org/pub/pdb/validation_reports/an/7any | HTTPS FTP |
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-Related structure data
Related structure data | 7ag5C 5o0zS C: citing same article (ref.) S: Starting model for refinement |
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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
-Protein/peptide , 1 types, 12 molecules ABCDEFGHIJKL
#1: Protein/peptide | Mass: 1294.433 Da / Num. of mol.: 12 / Source method: obtained synthetically / Source: (synth.) Streptomyces viridochromogenes (bacteria) |
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-Non-polymers , 6 types, 245 molecules
#2: Chemical | ChemComp-CA / #3: Chemical | ChemComp-RDZ / #4: Chemical | ChemComp-CL / #5: Chemical | #6: Chemical | ChemComp-NA / | #7: Water | ChemComp-HOH / | |
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-Details
Compound details | Laspartomycin C mutant, Friulimicin-like |
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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: 2.63 Å3/Da / Density % sol: 53.3 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7.5 / Details: 0.2 M cadmium chloride, 40% MPD |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | |||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.97951 Å | |||||||||||||||||||||||||||||||||||
Detector | Type: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Jul 18, 2019 | |||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97951 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||
Reflection twin |
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Reflection | Resolution: 1.135→34.755 Å / Num. obs: 36022 / % possible obs: 85.3 % / Redundancy: 3.3 % / CC1/2: 0.995 / Rmerge(I) obs: 0.087 / Rpim(I) all: 0.055 / Rrim(I) all: 0.103 / Net I/σ(I): 6.2 | |||||||||||||||||||||||||||||||||||
Reflection shell | Resolution: 1.135→1.271 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.373 / Mean I/σ(I) obs: 2.8 / Num. unique obs: 1799 / CC1/2: 0.852 / Rpim(I) all: 0.3 / Rrim(I) all: 0.481 / % possible all: 31.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5O0Z Resolution: 1.135→34.755 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.94 / SU B: 0.771 / SU ML: 0.028 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.011 / ESU R Free: 0.012 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 61.84 Å2 / Biso mean: 14.387 Å2 / Biso min: 4.76 Å2
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Refinement step | Cycle: final / Resolution: 1.135→34.755 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.135→1.165 Å / Rfactor Rfree error: 0
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