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- PDB-7mcu: Crystal structure of Staphylococcus aureus Cystathionine gamma ly... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7mcu | ||||||||||||
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Title | Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL2 | ||||||||||||
![]() | 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 | ![]() | 106.7 KB | Display | ![]() |
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PDB format | ![]() | 72.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7mcbC ![]() 7mclC ![]() 7mcnC ![]() 7mcpC ![]() 7mcqC ![]() 7mctC ![]() 7mcyC ![]() 7md0C ![]() 7md1C ![]() 7md6C ![]() 7md8C ![]() 7md9C ![]() 7mdaC ![]() 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
-Protein , 1 types, 1 molecules H
#1: Protein | Mass: 41509.711 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() References: UniProt: X5E0F1, ![]() ![]() ![]() |
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-Non-polymers , 6 types, 234 molecules ![](data/chem/img/PLP.gif)
![](data/chem/img/YXA.gif)
![](data/chem/img/FLC.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/YXA.gif)
![](data/chem/img/FLC.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-PLP / ![]() | ||||
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#3: Chemical | ChemComp-YXA / | ||||
#4: Chemical | ChemComp-FLC / ![]() | ||||
#5: Chemical | #6: Chemical | ![]() #7: Water | ChemComp-HOH / | ![]() |
-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.78 Å3/Da / Density % sol: 74.24 % |
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Crystal grow![]() | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.6 / Details: 0.1 M Tris-HCl, pH 7.6, 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: Mar 29, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.4→29 Å / Num. obs: 30864 / % possible obs: 97.4 % / Redundancy: 11.3 % / Biso Wilson estimate: 29.49 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.142 / Rpim(I) all: 0.042 / Net I/σ(I): 2.2 |
Reflection shell | Resolution: 2.4→2.46 Å / Redundancy: 5.4 % / Rmerge(I) obs: 0.361 / Mean I/σ(I) obs: 0.4 / Num. unique obs: 1723 / CC1/2: 0.919 / Rpim(I) all: 0.142 / % possible all: 77.3 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 4IXZ Resolution: 2.4→28.94 Å / SU ML: 0.2508 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 20.0004 / 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: 34.99 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→28.94 Å
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Refine LS restraints |
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LS refinement shell |
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