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Yorodumi- PDB-8ki0: Crystal structure of the hemophore HasA from Pseudomonas protegen... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8ki0 | |||||||||||||||
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Title | Crystal structure of the hemophore HasA from Pseudomonas protegens Pf-5 capturing Fe-tetraphenylporphyrin | |||||||||||||||
Components | Heme acquisition protein HasAp | |||||||||||||||
Keywords | TRANSPORT PROTEIN / HEME ACQUISITION PROTEIN | |||||||||||||||
Function / homology | Haem-binding HasA / Haem-binding HasA superfamily / Heme-binding protein A (HasA) / metal ion binding / Chem-MQP / Heme acquisition protein HasAp Function and homology information | |||||||||||||||
Biological species | Pseudomonas protegens Pf-5 (bacteria) | |||||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.45 Å | |||||||||||||||
Authors | Shisaka, Y. / Inaba, H. / Sugimoto, H. / Shoji, O. | |||||||||||||||
Funding support | Japan, 4items
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Citation | Journal: Rsc Adv / Year: 2024 Title: Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom. Authors: Inaba, H. / Shisaka, Y. / Ariyasu, S. / Sakakibara, E. / Ueda, G. / Aiba, Y. / Shimizu, N. / Sugimoto, H. / Shoji, O. | |||||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8ki0.cif.gz | 167.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8ki0.ent.gz | 129.4 KB | Display | PDB format |
PDBx/mmJSON format | 8ki0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ki/8ki0 ftp://data.pdbj.org/pub/pdb/validation_reports/ki/8ki0 | HTTPS FTP |
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-Related structure data
Related structure data | 8ki1C C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 19045.621 Da / Num. of mol.: 2 / Fragment: Residues 1-183 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas protegens Pf-5 (bacteria) / Gene: hasAp / Plasmid: pQE30 / Production host: Escherichia coli M15 (bacteria) / References: UniProt: Q4K5N8 |
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-Non-polymers , 5 types, 316 molecules
#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-GOL / | #5: Chemical | ChemComp-NA / | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.32 Å3/Da / Density % sol: 47.08 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 100 mM Tris-HCl (pH 7.0), 1.0 M Potassium sodium tartrate, 200 mM Lithium sulfate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL26B1 / Wavelength: 1 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: DECTRIS EIGER X 4M / Detector: PIXEL / Date: Jan 30, 2019 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.45→39.68 Å / Num. obs: 59034 / % possible obs: 95.5 % / Redundancy: 6.54 % / CC1/2: 0.998 / Rmerge(I) obs: 0.076 / Rrim(I) all: 0.082 / Net I/σ(I): 16.08 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.45→39.68 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.966 / SU B: 1.475 / SU ML: 0.027 / Cross valid method: THROUGHOUT / ESU R: 0.013 / ESU R Free: 0.011 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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 mean: 12.825 Å2
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Refinement step | Cycle: 1 / Resolution: 1.45→39.68 Å
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