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Yorodumi- PDB-2qxg: Crystal Structure of Human Kallikrein 7 in Complex with Ala-Ala-P... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2qxg | ||||||
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Title | Crystal Structure of Human Kallikrein 7 in Complex with Ala-Ala-Phe-chloromethylketone | ||||||
Components | Kallikrein-7 | ||||||
Keywords | HYDROLASE / Dimer / 37 loop / active site inhibitor / chloromethyl ketone / Alternative splicing / Glycoprotein / Protease / Secreted / Serine protease / Zymogen | ||||||
Function / homology | Function and homology information stratum corneum chymotryptic enzyme / positive regulation of antibacterial peptide production / epidermal lamellar body / cornified envelope / extracellular matrix disassembly / epidermis development / Degradation of the extracellular matrix / serine-type peptidase activity / secretory granule / metalloendopeptidase activity ...stratum corneum chymotryptic enzyme / positive regulation of antibacterial peptide production / epidermal lamellar body / cornified envelope / extracellular matrix disassembly / epidermis development / Degradation of the extracellular matrix / serine-type peptidase activity / secretory granule / metalloendopeptidase activity / peptidase activity / serine-type endopeptidase activity / proteolysis / extracellular space / extracellular region Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å | ||||||
Authors | Debela, M. / Hess, P. / Magdolen, V. / Bode, W. / Steiner, T. / Goettig, P. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.Usa / Year: 2007 Title: Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7. Authors: Debela, M. / Hess, P. / Magdolen, V. / Schechter, N.M. / Steiner, T. / Huber, R. / Bode, W. / Goettig, P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2qxg.cif.gz | 105.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2qxg.ent.gz | 79.4 KB | Display | PDB format |
PDBx/mmJSON format | 2qxg.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2qxg_validation.pdf.gz | 1 MB | Display | wwPDB validaton report |
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Full document | 2qxg_full_validation.pdf.gz | 1.1 MB | Display | |
Data in XML | 2qxg_validation.xml.gz | 22.5 KB | Display | |
Data in CIF | 2qxg_validation.cif.gz | 30 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qx/2qxg ftp://data.pdbj.org/pub/pdb/validation_reports/qx/2qxg | HTTPS FTP |
-Related structure data
Related structure data | 2qxhC 2qxiC 2qxjC 1lo6S 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 24481.160 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: KLK7, PRSS6, SCCE / Production host: Escherichia coli (E. coli) / Strain (production host): M15[pREP4] References: UniProt: P49862, stratum corneum chymotryptic enzyme #2: Chemical | #3: Water | ChemComp-HOH / | |
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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: 2.34 Å3/Da / Density % sol: 47.39 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 6 Details: 25% PEG 3350, 2.5 M lithium sulfate, 0.1 M Bis-Tris, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: MPG/DESY, HAMBURG / Beamline: BW6 / Wavelength: 1.05 Å |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Feb 3, 2005 / Details: MIRRORS |
Radiation | Monochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.05 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→20 Å / Num. all: 14065 / Num. obs: 14065 / % possible obs: 91.6 % / Observed criterion σ(I): 0 / Redundancy: 2.7 % / Biso Wilson estimate: 23.6 Å2 / Rmerge(I) obs: 0.095 / Net I/σ(I): 15.4 |
Reflection shell | Resolution: 2.5→2.59 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.333 / Mean I/σ(I) obs: 4.2 / Num. unique all: 1351 / % possible all: 89 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1LO6 Resolution: 2.6→19.92 Å / Rfactor Rfree error: 0.012 / Data cutoff high absF: 891523.6 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 2 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 47.498 Å2 / ksol: 0.297747 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 26.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.6→19.92 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: CONSTR | ||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.6→2.76 Å / Rfactor Rfree error: 0.036 / Total num. of bins used: 6
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Xplor file |
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