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Open data
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Basic information
Entry | Database: PDB / ID: 1i48 | ||||||
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Title | CYSTATHIONINE GAMMA-SYNTHASE IN COMPLEX WITH THE INHIBITOR CTCPO | ||||||
![]() | CYSTATHIONINE GAMMA-SYNTHASE | ||||||
![]() | LYASE / PLP-dependent enzyme / homotetramer / inhibitor complex / CTCPO | ||||||
Function / homology | ![]() cystathionine gamma-synthase activity / transsulfuration / methionine biosynthetic process / pyridoxal phosphate binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Steegborn, C. / Laber, B. / Messerschmidt, A. / Huber, R. / Clausen, T. | ||||||
![]() | ![]() Title: Crystal structures of cystathionine gamma-synthase inhibitor complexes rationalize the increased affinity of a novel inhibitor. Authors: Steegborn, C. / Laber, B. / Messerschmidt, A. / Huber, R. / Clausen, T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 882.5 KB | Display | ![]() |
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PDB format | ![]() | 738.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 931.3 KB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 116.1 KB | Display | |
Data in CIF | ![]() | 163.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1i41C ![]() 1i43C ![]() 1qgnS 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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3 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 48067.973 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-PLP / #3: Chemical | ChemComp-CCO / |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.64 Å3/Da / Density % sol: 66.17 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 291 K / Method: vapor diffusion / pH: 6.5 Details: MES, magnesium acetate, PEG 8000, pH 6.5, VAPOR DIFFUSION, temperature 291K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.8 / Method: vapor diffusion, sitting drop / Details: used seeding | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 291 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jul 10, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 3.25→20 Å / Num. all: 119179 / Num. obs: 119179 / % possible obs: 93 % / Observed criterion σ(I): -100 / Redundancy: 1.7 % / Rmerge(I) obs: 0.138 / Net I/σ(I): 4.4 |
Reflection shell | Resolution: 3.25→3.36 Å / Redundancy: 1.6 % / Rmerge(I) obs: 0.496 / % possible all: 94 |
Reflection | *PLUS % possible obs: 93 % |
Reflection shell | *PLUS % possible obs: 94 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 1qgn Resolution: 3.25→20 Å / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 2 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 3.25→20 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / σ(F): 2 / Rfactor obs: 0.226 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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