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- PDB-7mda: Crystal structure of Staphylococcus aureus cystathionine gamma ly... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7mda | ||||||||||||
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Title | Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL1 | ||||||||||||
![]() | Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase | ||||||||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||||||||
Biological species | ![]() ![]() ![]() | ||||||||||||
Method | ![]() ![]() ![]() | ||||||||||||
![]() | Nuthanakanti, A. / Serganov, A. / Kaushik, A. | ||||||||||||
Funding support | ![]()
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![]() | ![]() Title: Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Authors: Shatalin, K. / Nuthanakanti, A. / Kaushik, A. / Shishov, D. / Peselis, A. / Shamovsky, I. / Pani, B. / Lechpammer, M. / Vasilyev, N. / Shatalina, E. / Rebatchouk, D. / Mironov, A. / ...Authors: Shatalin, K. / Nuthanakanti, A. / Kaushik, A. / Shishov, D. / Peselis, A. / Shamovsky, I. / Pani, B. / Lechpammer, M. / Vasilyev, N. / Shatalina, E. / Rebatchouk, D. / Mironov, A. / Fedichev, P. / Serganov, A. / Nudler, E. | ||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 100.5 KB | Display | ![]() |
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PDB format | ![]() | 67.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7mcbC ![]() 7mclC ![]() 7mcnC ![]() 7mcpC ![]() 7mcqC ![]() 7mctC ![]() 7mcuC ![]() 7mcyC ![]() 7md0C ![]() 7md1C ![]() 7md6C ![]() 7md8C ![]() 7md9C ![]() 7mdbC ![]() 4ixzS 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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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 41417.617 Da / Num. of mol.: 1 / Mutation: Y103A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() References: UniProt: X5E0F1, ![]() ![]() ![]() | ||||||||
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#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-EPE / | ![]() #5: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.81 Å3/Da / Density % sol: 74.41 % |
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Crystal grow![]() | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.1 M HEPES sodium, pH 7.5, 1.3 M tri-sodium citrate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jan 31, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.24→30 Å / Num. obs: 39094 / % possible obs: 99.9 % / Redundancy: 13.9 % / Biso Wilson estimate: 53.47 Å2 / CC1/2: 0.983 / Rmerge(I) obs: 0.241 / Rpim(I) all: 0.066 / Net I/σ(I): 5.4 |
Reflection shell | Resolution: 2.24→2.29 Å / Redundancy: 8.4 % / Rmerge(I) obs: 1.405 / Mean I/σ(I) obs: 0.1 / Num. unique obs: 2261 / CC1/2: 0.697 / Rpim(I) all: 0.489 / % possible all: 99.4 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB entry 4IXZ Resolution: 2.24→29.95 Å / SU ML: 0.313 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 25.4127 / Stereochemistry target values: CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 58.86 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.24→29.95 Å
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Refine LS restraints |
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LS refinement shell |
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