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Yorodumi- PDB-1jtg: CRYSTAL STRUCTURE OF TEM-1 BETA-LACTAMASE / BETA-LACTAMASE INHIBI... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1jtg | ||||||
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Title | CRYSTAL STRUCTURE OF TEM-1 BETA-LACTAMASE / BETA-LACTAMASE INHIBITOR PROTEIN COMPLEX | ||||||
Components |
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Keywords | HYDROLASE / protein-protein complex / TEM-1 beta-lactamase / beta-lactamase inhibitor protein / BLIP | ||||||
Function / homology | Function and homology information regulation of beta-lactamase activity / beta-lactam antibiotic catabolic process / beta-lactamase / beta-lactamase activity / response to antibiotic / extracellular region Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) Streptomyces clavuligerus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.73 Å | ||||||
Authors | Strynadka, N.C.J. / Jensen, S.E. / Alzari, P.M. / James, M.N. | ||||||
Citation | Journal: Nat.Struct.Biol. / Year: 2001 Title: Crystal structure and kinetic analysis of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase. Authors: Lim, D. / Park, H.U. / De Castro, L. / Kang, S.G. / Lee, H.S. / Jensen, S. / Lee, K.J. / Strynadka, N.C. #1: Journal: Nat.Struct.Biol. / Year: 1996 Title: A POTENT NEW MODE OF BETA-LACTAMASE INHIBITION REVEALED BY THE 1.7 A X-RAY CRYSTALLOGRAPHIC STRUCTURE OF THE TEM-1-BLIP COMPLEX. Authors: C Strynadka, N. / Jensen, S.E. / Alzari, P.M. / James, M.N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1jtg.cif.gz | 177.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1jtg.ent.gz | 144.9 KB | Display | PDB format |
PDBx/mmJSON format | 1jtg.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jt/1jtg ftp://data.pdbj.org/pub/pdb/validation_reports/jt/1jtg | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Details | The asymmetric unit contains two biological units. |
-Components
#1: Protein | Mass: 28984.076 Da / Num. of mol.: 2 / Mutation: I84V,V184A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Production host: Escherichia coli (E. coli) / References: UniProt: P62593, beta-lactamase #2: Protein | Mass: 17556.492 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces clavuligerus (bacteria) / Production host: Escherichia coli (E. coli) / References: UniProt: P35804 #3: Chemical | #4: Water | ChemComp-HOH / | |
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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: 2.46 Å3/Da / Density % sol: 49.97 % |
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Crystal grow | pH: 8.8 / Details: pH 8.8 |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X11 / Wavelength: 0.93 |
Detector | Type: MAR scanner 300 mm plate / Detector: IMAGE PLATE / Date: Nov 1, 1995 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.93 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→20 Å / Num. obs: 89586 / % possible obs: 88 % / Observed criterion σ(I): 2 / Redundancy: 4 % / Biso Wilson estimate: 17.8 Å2 / Rmerge(I) obs: 0.056 / Net I/σ(I): 17 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: TEM-1 NATIVE Resolution: 1.73→19.96 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 2948138.34 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 50.4464 Å2 / ksol: 0.346053 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.5 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.73→19.96 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.73→1.84 Å / Rfactor Rfree error: 0.012 / Total num. of bins used: 6
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Xplor file |
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