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Yorodumi- PDB-1mbl: A catalytically-impaired class A beta-lactamase: 2 Angstroms crys... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1mbl | ||||||
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Title | A catalytically-impaired class A beta-lactamase: 2 Angstroms crystal structure and kinetics of the Bacillus licheniformis E166A mutant | ||||||
Components | BETA-LACTAMASE | ||||||
Keywords | HYDROLASE | ||||||
Function / homology | Function and homology information beta-lactam antibiotic catabolic process / beta-lactamase activity / beta-lactamase / response to antibiotic / plasma membrane Similarity search - Function | ||||||
Biological species | Bacillus licheniformis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2 Å | ||||||
Authors | Knox, J.R. / Moews, P.C. | ||||||
Citation | Journal: Protein Eng. / Year: 1993 Title: A catalytically-impaired class A beta-lactamase: 2 A crystal structure and kinetics of the Bacillus licheniformis E166A mutant. Authors: Knox, J.R. / Moews, P.C. / Escobar, W.A. / Fink, A.L. #1: Journal: RECENT ADVANCES IN THE CHEMISTRY OF ANTI-INFECTIVE AGENTS (SPEC.PUBL.R.SOC.CHEM.,NO. 119) Year: 1993 Title: Crystallography of Penicillin-Binding Enzymes Authors: Knox, J.R. #2: Journal: J.Mol.Biol. / Year: 1991 Title: Beta-Lactamase of Bacillus Licheniformis 749C: Refinement at 2 Angstroms Resolution and Analysis of Hydration Authors: Knox, J.R. / Moews, P.C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1mbl.cif.gz | 122.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1mbl.ent.gz | 95 KB | Display | PDB format |
PDBx/mmJSON format | 1mbl.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1mbl_validation.pdf.gz | 436.6 KB | Display | wwPDB validaton report |
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Full document | 1mbl_full_validation.pdf.gz | 447.7 KB | Display | |
Data in XML | 1mbl_validation.xml.gz | 27.3 KB | Display | |
Data in CIF | 1mbl_validation.cif.gz | 40.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mb/1mbl ftp://data.pdbj.org/pub/pdb/validation_reports/mb/1mbl | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO A 167 / 2: CIS PROLINE - PRO B 167 | ||||||||
Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.876177, -0.033827, -0.480802), Vector: Details | THE TRANSFORMATION PRESENTED ON *MTRIX* RECORDS BELOW WILL YIELD APPROXIMATE COORDINATES FOR CHAIN *B* WHEN APPLIED TO CHAIN *A*. | |
-Components
#1: Protein | Mass: 28433.105 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus licheniformis (bacteria) / References: UniProt: P00808, beta-lactamase #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.36 Å3/Da / Density % sol: 47.81 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 6.2 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | *PLUS Highest resolution: 2 Å / Num. obs: 29095 / Num. measured all: 87548 / Rmerge(I) obs: 0.051 |
-Processing
Software | Name: PROLSQ / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Highest resolution: 2 Å / σ(F): 0 /
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Refinement step | Cycle: LAST / Highest resolution: 2 Å
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Refine LS restraints |
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Software | *PLUS Name: PROLSQ / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2 Å / Lowest resolution: 10 Å / Num. reflection obs: 28031 / σ(F): 3 / Rfactor all: 0.182 / Rfactor obs: 0.172 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 14.7 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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