+Open data
-Basic information
Entry | Database: PDB / ID: 1hw5 | ||||||
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Title | THE CAP/CRP VARIANT T127L/S128A | ||||||
Components | CATABOLITE GENE ACTIVATOR | ||||||
Keywords | GENE REGULATION / cAMP Receptor Protein / Catabolite Activator Protein (CAP) Transcription / Allostery / cAMP / cyclic AMP Mutant | ||||||
Function / homology | Function and homology information carbon catabolite repression of transcription / DNA binding, bending / minor groove of adenine-thymine-rich DNA binding / cAMP binding / protein-DNA complex / sequence-specific DNA binding / DNA-binding transcription factor activity / negative regulation of DNA-templated transcription / DNA-templated transcription / positive regulation of DNA-templated transcription ...carbon catabolite repression of transcription / DNA binding, bending / minor groove of adenine-thymine-rich DNA binding / cAMP binding / protein-DNA complex / sequence-specific DNA binding / DNA-binding transcription factor activity / negative regulation of DNA-templated transcription / DNA-templated transcription / positive regulation of DNA-templated transcription / identical protein binding / cytosol Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.82 Å | ||||||
Authors | Chu, S.Y. / Tordova, M. / Gilliland, G.L. / Gorshkova, I. / Shi, Y. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2001 Title: The structure of the T127L/S128A mutant of cAMP receptor protein facilitates promoter site binding Authors: Chu, S.Y. / Tordova, M. / Gilliland, G.L. / Gorshkova, I. / Shi, Y. / Wang, S. / Schwarz, F.P. #1: Journal: Proc.Natl.Acad.Sci.USA / Year: 1997 Title: The Structure of a CAP-DNA Complex Having Two cAMP Molecules Bound To Each Monomer Authors: Passner, J.M. / Steitz, T.A. #2: Journal: J.Mol.Biol. / Year: 1987 Title: Structure of a Complex of Catabolite Gene Activator Protein and Cyclic AMP Refined at 2.5 A Resolution Authors: Weber, I.T. / Steitz, T.A. #3: Journal: J.Biol.Chem. / Year: 1987 Title: Crystal Structure of a Cyclic AMP-independent Mutant of Catabolite Gene Activator Protein Authors: Weber, I.T. / Gilliland, G.L. / Harman, J.G. / Peterkofsky, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1hw5.cif.gz | 102.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1hw5.ent.gz | 78.2 KB | Display | PDB format |
PDBx/mmJSON format | 1hw5.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1hw5_validation.pdf.gz | 1.2 MB | Display | wwPDB validaton report |
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Full document | 1hw5_full_validation.pdf.gz | 1.3 MB | Display | |
Data in XML | 1hw5_validation.xml.gz | 22.7 KB | Display | |
Data in CIF | 1hw5_validation.cif.gz | 31.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hw/1hw5 ftp://data.pdbj.org/pub/pdb/validation_reports/hw/1hw5 | HTTPS FTP |
-Related structure data
Related structure data | 3gap S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Details | The dimer in the asymmetric unit is the biological unit |
-Components
#1: Protein | Mass: 23668.494 Da / Num. of mol.: 2 / Mutation: T127L, S128A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: CRP/CAP / Species (production host): Escherichia coli / Production host: Escherichia coli K12 (bacteria) / Strain (production host): K12 / References: UniProt: P0ACJ8 #2: Chemical | #3: 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: 2.37 Å3/Da / Density % sol: 48.01 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.1 Details: PEG 4K, isoprotanol, cAMP, HEPES, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 8 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: SIEMENS / Wavelength: 1.54 Å |
Detector | Type: SIEMENS HI-STAR / Detector: AREA DETECTOR / Date: Mar 12, 1998 |
Radiation | Monochromator: graphite / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 1.82→20 Å / Num. all: 38054 / Num. obs: 177444 / % possible obs: 98 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 5 % / Biso Wilson estimate: 20 Å2 / Rmerge(I) obs: 0.088 / Net I/σ(I): 12 |
Reflection shell | Resolution: 1.82→20 Å / Redundancy: 4.7 % / Rmerge(I) obs: 0.088 / % possible all: 98 |
Reflection | *PLUS Num. obs: 38054 / % possible obs: 97.7 % / Redundancy: 4.7 % / Num. measured all: 177444 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 3GAP 3gap Resolution: 1.82→20 Å / Cross valid method: THROUGHOUT / σ(F): 1 / σ(I): 1 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.82→20 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | ||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / σ(F): 1 / Rfactor Rfree: 0.3 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS Type: s_plane_restr / Dev ideal: 0.025 |