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Yorodumi- PDB-7q9z: Crystal structure of Chromobacterium violaceum aminotransferase i... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7q9z | |||||||||
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Title | Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct | |||||||||
Components | Probable aminotransferase | |||||||||
Keywords | TRANSFERASE / Transaminase / inhibition / pyridoxal phosphate | |||||||||
Function / homology | Function and homology information adenosylmethionine-8-amino-7-oxononanoate transaminase activity / pyridoxal phosphate binding / identical protein binding Similarity search - Function | |||||||||
Biological species | Chromobacterium violaceum (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.95 Å | |||||||||
Authors | Isupov, M.N. / Mitchell, D. / Sayer, C. / Littlechild, J.A. | |||||||||
Funding support | United Kingdom, 2items
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Citation | Journal: To Be Published Title: Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct. Authors: Isupov, M.N. / Mitchell, D. / Sayer, C. / Littlechild, J.A. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7q9z.cif.gz | 191.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7q9z.ent.gz | Display | PDB format | |
PDBx/mmJSON format | 7q9z.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q9/7q9z ftp://data.pdbj.org/pub/pdb/validation_reports/q9/7q9z | HTTPS FTP |
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-Related structure data
Related structure data | 7q9xC 4ah3S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Ens-ID: 1 / Beg auth comp-ID: ALA / Beg label comp-ID: ALA / End auth comp-ID: ALA / End label comp-ID: ALA / Auth seq-ID: 33 - 459 / Label seq-ID: 67 - 493
NCS ensembles : (Details: Local NCS retraints between domains: 1 2) |
-Components
-Protein , 1 types, 2 molecules AAABBB
#1: Protein | Mass: 54832.230 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Chromobacterium violaceum (strain ATCC 12472 / DSM 30191 / JCM 1249 / NBRC 12614 / NCIMB 9131 / NCTC 9757) (bacteria) Strain: ATCC 12472 / DSM 30191 / JCM 1249 / NBRC 12614 / NCIMB 9131 / NCTC 9757 Gene: CV_2025 / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: Q7NWG4, adenosylmethionine-8-amino-7-oxononanoate transaminase |
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-Non-polymers , 5 types, 86 molecules
#2: Chemical | #3: Chemical | ChemComp-EDO / #4: Chemical | ChemComp-CL / | #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.11 Å3/Da / Density % sol: 41.58 % |
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Crystal grow | Temperature: 291 K / Method: microbatch Details: 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v (RS)-2-methyl-2,4-pentanediol (MPD) 0.03M of each of sodium nitrate, disodium hydrogen phosphate and ammonium sulfate in 0.1M MES/imidazole ...Details: 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v (RS)-2-methyl-2,4-pentanediol (MPD) 0.03M of each of sodium nitrate, disodium hydrogen phosphate and ammonium sulfate in 0.1M MES/imidazole pH6.5 buffer.5 mM PLP and 5 mM pyruvate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763 Å |
Detector | Type: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Mar 2, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 1.95→56.41 Å / Num. obs: 55363 / % possible obs: 97.8 % / Redundancy: 3.6 % / CC1/2: 0.998 / Net I/σ(I): 8.8 |
Reflection shell | Resolution: 1.95→1.98 Å / Num. unique obs: 2719 / CC1/2: 0.322 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4ah3 Resolution: 1.95→56.408 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.947 / SU B: 15.01 / SU ML: 0.339 / Cross valid method: FREE R-VALUE / ESU R: 0.255 / ESU R Free: 0.202 / Details: Hydrogens have not been used
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL PLUS MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 64.113 Å2
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Refinement step | Cycle: LAST / Resolution: 1.95→56.408 Å
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Refine LS restraints |
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Refine LS restraints NCS |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20
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