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- PDB-3iqg: Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3iqg | ||||||
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Title | Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNWNI | ||||||
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![]() | TRANSFERASE / PROTEIN-PEPTIDE COMPLEX / Allosteric enzyme / Amino-acid biosynthesis / Cysteine biosynthesis / Pyridoxal phosphate | ||||||
Function / homology | ![]() cysteine synthase / cysteine synthase activity / L-cysteine desulfhydrase activity / cysteine biosynthetic process from serine / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Roderick, S.L. | ||||||
![]() | ![]() Title: Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature. Authors: Salsi, E. / Bayden, A.S. / Spyrakis, F. / Amadasi, A. / Campanini, B. / Bettati, S. / Dodatko, T. / Cozzini, P. / Kellogg, G.E. / Cook, P.F. / Roderick, S.L. / Mozzarelli, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 78.5 KB | Display | ![]() |
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PDB format | ![]() | 57.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3iqhC ![]() 3iqiC ![]() 1y7lS 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: 33651.465 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Protein/peptide | Mass: 676.784 Da / Num. of mol.: 1 / Source method: obtained synthetically |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.12 Å3/Da / Density % sol: 41.86 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 10.5 Details: CAPS, Ammonium Sulfate, Lithium Sulfate, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 130 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: May 29, 2009 |
Radiation | Monochromator: CONFOCAL OPTICS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→29.04 Å / Num. all: 22692 / Num. obs: 22692 / % possible obs: 99.2 % / Observed criterion σ(I): 0 / Redundancy: 3.8 % / Rmerge(I) obs: 0.029 / Net I/σ(I): 31.8 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.103 / Mean I/σ(I) obs: 8.6 / Num. unique all: 3133 / % possible all: 95.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1Y7L Resolution: 1.9→28.14 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.937 / SU B: 2.719 / SU ML: 0.083 / Cross valid method: THROUGHOUT / ESU R: 0.156 / ESU R Free: 0.138 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 20.118 Å2
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Refine analyze | Luzzati coordinate error obs: 0.156 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.9→28.14 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→1.949 Å / Total num. of bins used: 20
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