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- PDB-1nfu: CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH R... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1nfu | ||||||
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Title | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR132747 | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Maignan, S. / Guilloteau, J.P. | ||||||
![]() | ![]() Title: Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket. Authors: Maignan, S. / Guilloteau, J.P. / Choi-Sledeski, Y.M. / Becker, M.R. / Ewing, W.R. / Pauls, H.W. / Spada, A.P. / Mikol, V. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 79.7 KB | Display | ![]() |
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PDB format | ![]() | 55.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1nfwC ![]() 1nfxC ![]() 1nfyC ![]() 1fosS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | ![]() Mass: 28550.596 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: Blood / Source: (natural) ![]() ![]() ![]() |
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#2: Protein | ![]() Mass: 21919.961 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: Blood / Source: (natural) ![]() ![]() ![]() |
#3: Chemical | ChemComp-CA / |
#4: Chemical | ChemComp-RRP / |
#5: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal grow![]() | Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 5.7 Details: 18-20% PEG 600, 50MM MES-NAOH,1MM RPR132747, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K | |||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS Temperature: 19 ℃ / pH: 6 | |||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Aug 1, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.05→26 Å / Num. all: 18808 / Num. obs: 18808 / % possible obs: 92 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 1 / Rmerge(I) obs: 0.032 |
Reflection | *PLUS Redundancy: 2.4 % |
Reflection shell | *PLUS % possible obs: 89.4 % / Rmerge(I) obs: 0.118 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1FOS Resolution: 2.05→20 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber Details: refinement of the structure was performed without r-free calculation
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Displacement parameters | Biso mean: 29.7 Å2 | |||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.05→20 Å
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Refinement | *PLUS | |||||||||||||||
Solvent computation | *PLUS | |||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||
Refine LS restraints | *PLUS
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