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Yorodumi- PDB-3km9: Structure of complement C5 in complex with the C-terminal beta-gr... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3km9 | |||||||||
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Title | Structure of complement C5 in complex with the C-terminal beta-grasp domain of SSL7 | |||||||||
Components |
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Keywords | IMMUNE SYSTEM / OB-fold / beta-grasp domain / FN3 domain / Cleavage on pair of basic residues / Complement alternate pathway / Complement pathway / Cytolysis / Disulfide bond / Glycoprotein / Immune response / Inflammatory response / Innate immunity / Membrane attack complex / Secreted | |||||||||
Function / homology | Function and homology information Terminal pathway of complement / membrane attack complex / Activation of C3 and C5 / negative regulation of macrophage chemotaxis / complement activation, alternative pathway / chemokine activity / endopeptidase inhibitor activity / : / positive regulation of vascular endothelial growth factor production / complement activation, classical pathway ...Terminal pathway of complement / membrane attack complex / Activation of C3 and C5 / negative regulation of macrophage chemotaxis / complement activation, alternative pathway / chemokine activity / endopeptidase inhibitor activity / : / positive regulation of vascular endothelial growth factor production / complement activation, classical pathway / positive regulation of chemokine production / Peptide ligand-binding receptors / Regulation of Complement cascade / chemotaxis / G alpha (i) signalling events / killing of cells of another organism / cell surface receptor signaling pathway / inflammatory response / G protein-coupled receptor signaling pathway / signaling receptor binding / extracellular space / extracellular exosome / extracellular region Similarity search - Function | |||||||||
Biological species | Staphylococcus aureus subsp. aureus (bacteria) Homo sapiens (human) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 4.2 Å | |||||||||
Authors | Laursen, N.S. / Gordon, N. / Hermans, S. / Lorenz, N. / Jackson, N. / Wines, B. / Spillner, E. / Christensen, J.B. / Jensen, M. / Fredslund, F. ...Laursen, N.S. / Gordon, N. / Hermans, S. / Lorenz, N. / Jackson, N. / Wines, B. / Spillner, E. / Christensen, J.B. / Jensen, M. / Fredslund, F. / Bjerre, M. / Sottrup-Jensen, L. / Fraser, J.D. / Andersen, G.R. | |||||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2010 Title: Structural basis for inhibition of complement C5 by the SSL7 protein from Staphylococcus aureus Authors: Laursen, N.S. / Gordon, N. / Hermans, S. / Lorenz, N. / Jackson, N. / Wines, B. / Spillner, E. / Christensen, J.B. / Jensen, M. / Fredslund, F. / Bjerre, M. / Sottrup-Jensen, L. / Fraser, J.D. / Andersen, G.R. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3km9.cif.gz | 1.3 MB | Display | PDBx/mmCIF format |
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PDB format | pdb3km9.ent.gz | 1.1 MB | Display | PDB format |
PDBx/mmJSON format | 3km9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/km/3km9 ftp://data.pdbj.org/pub/pdb/validation_reports/km/3km9 | HTTPS FTP |
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-Related structure data
Related structure data | 3klsC 3cu7S 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 188526.125 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Details: Outdated plasma pools / Source: (natural) Homo sapiens (human) / Tissue: Blood / References: UniProt: P01031 #2: Protein | Mass: 11770.348 Da / Num. of mol.: 2 / Fragment: C-terminal beta-grasp domain, residues 129-231 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus subsp. aureus (bacteria) Strain: Newman / Plasmid: pET-32a-3c / Production host: Escherichia coli (E. coli) / References: UniProt: A6QE84, UniProt: A0A0H3K6Z8*PLUS #3: Polysaccharide | Source method: isolated from a genetically manipulated source #4: Chemical | ChemComp-CD / #5: Sugar | Sequence details | 802TH IS ILE IN THIS ENTRY, WHICH IS A NATURAL VARIANT REFERRED IN P01031 IN UNIPROT. | |
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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: 3.71 Å3/Da / Density % sol: 66.81 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion / pH: 6.2 Details: Reservoir contains 50mM MgAc2, 50mM MES pH 6.2. Mixed 1:1 with concentrated protein, VAPOR DIFFUSION, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 0.9 Å |
Detector | Type: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 20, 2009 |
Radiation | Monochromator: Si111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9 Å / Relative weight: 1 |
Reflection | Resolution: 4.2→50 Å / Num. all: 41983 / Num. obs: 41914 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 5.3 % / Biso Wilson estimate: 115.36 Å2 / Rsym value: 0.141 / Net I/σ(I): 14.4 |
Reflection shell | Resolution: 4.2→4.4 Å / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3CU7 with the C345C domain removed Resolution: 4.2→49.752 Å / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.751 / SU ML: 0.6 / σ(F): 1.99 / Phase error: 31.66 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 150 Å2 / ksol: 0.309 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 536.65 Å2 / Biso mean: 205.604 Å2 / Biso min: 77.33 Å2
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Refinement step | Cycle: LAST / Resolution: 4.2→49.752 Å
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Refine LS restraints |
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LS refinement shell |
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