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Open data
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Basic information
Entry | Database: PDB / ID: 1li6 | ||||||
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Title | T4 lysozyme mutant L99A/M102Q bound by 5-methylpyrrole | ||||||
![]() | Lysozyme![]() | ||||||
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Function / homology | ![]() viral release from host cell by cytolysis / peptidoglycan catabolic process / cell wall macromolecule catabolic process / ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Wei, B.Q. / Baase, W.A. / Weaver, L.H. / Matthews, B.W. / Shoichet, B.K. | ||||||
![]() | ![]() Title: A Model Binding Site for Testing Scoring Functions in Molecular Docking Authors: Wei, B.Q. / Baase, W.A. / Weaver, L.H. / Matthews, B.W. / Shoichet, B.K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 47.3 KB | Display | ![]() |
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PDB format | ![]() | 32.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1lguSC ![]() 1lgwC ![]() 1lgxC ![]() 1li2C ![]() 1li3C S: Starting model for refinement C: citing same article ( |
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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: 18617.320 Da / Num. of mol.: 1 / Mutation: L99A, M102Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() | ||||||
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#2: Chemical | ![]() #3: Chemical | ChemComp-5MP / | #4: Chemical | ChemComp-BME / | ![]() #5: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.79 Å3/Da / Density % sol: 55.97 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow![]() | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging drop / Details: Lipscomb, L.A., (1998) Protein Sci., 7, 765. / PH range low: 7.1 / PH range high: 6.3 | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() |
Detector | Type: SDMS / Detector: AREA DETECTOR / Date: May 1, 2001 / Details: graphite plus pinhole |
Radiation | Monochromator: graphite / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2→15 Å / Num. all: 13817 / Num. obs: 13817 / % possible obs: 91 % / Observed criterion σ(I): 0 / Rmerge(I) obs: 0.048 / Net I/σ(I): 12.7 |
Reflection shell | Resolution: 2→2.15 Å / Rmerge(I) obs: 0.107 / Mean I/σ(I) obs: 3.8 / Num. unique all: 2400 / % possible all: 84 |
Reflection | *PLUS % possible obs: 91 % |
Reflection shell | *PLUS % possible obs: 84 % / Num. unique obs: 2400 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1LGU Resolution: 2→15 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber Details: residues ASN163 and LEU164 are missing in the electron density
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Refinement step | Cycle: LAST / Resolution: 2→15 Å
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Refine LS restraints |
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Refinement | *PLUS Rfactor obs: 0.17 / Rfactor Rwork![]() | ||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||
Displacement parameters | *PLUS |