+Open data
-Basic information
Entry | Database: PDB / ID: 2q1h | ||||||
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Title | Ancestral Corticoid Receptor in Complex with Aldosterone | ||||||
Components | AncCR | ||||||
Keywords | TRANSCRIPTION / Nuclear Receptor / Ligand Binding Domain / Aldosterone / Evolution / ancient protein / epistasis / UNKNOWN FUNCTION | ||||||
Function / homology | Retinoid X Receptor / Retinoid X Receptor / Orthogonal Bundle / Mainly Alpha / ALDOSTERONE Function and homology information | ||||||
Biological species | unidentified (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | ||||||
Authors | Ortlund, E.A. / Bridgham, J.T. / Redinbo, M.R. / Thornton, J.W. | ||||||
Citation | Journal: Science / Year: 2007 Title: Crystal structure of an ancient protein: evolution by conformational epistasis. Authors: Ortlund, E.A. / Bridgham, J.T. / Redinbo, M.R. / Thornton, J.W. | ||||||
History |
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Remark 999 | sequence The sequence is not available in the UniProt database at the time of processing. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2q1h.cif.gz | 66.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2q1h.ent.gz | 48.3 KB | Display | PDB format |
PDBx/mmJSON format | 2q1h.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q1/2q1h ftp://data.pdbj.org/pub/pdb/validation_reports/q1/2q1h | HTTPS FTP |
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-Related structure data
Related structure data | 2q1vSC 2q3yC S: Starting model for refinement C: citing same article (ref.) |
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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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-Components
#1: Protein | Mass: 29052.707 Da / Num. of mol.: 1 / Mutation: C71S Source method: isolated from a genetically manipulated source Source: (gene. exp.) unidentified (others) / Plasmid: pMALCH10T / Production host: Escherichia coli (E. coli) / Strain (production host): BL21plysS | ||||||
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#2: Chemical | #3: Chemical | ChemComp-AS4 / | #4: Chemical | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.11 Å3/Da / Density % sol: 60.42 % |
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Crystal grow | Temperature: 295.15 K / Method: vapor diffusion, hanging drop / pH: 6.4 Details: 9.5-15% PEG 3350, 5% glycerol, 50 mM Bis-Tris, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 0.99 Å |
Detector | Type: MARMOSAIC 325 mm CCD / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.99 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→34.27 Å / Num. obs: 29610 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 10.1 % / Biso Wilson estimate: 22.4 Å2 / Rmerge(I) obs: 0.037 / Net I/σ(I): 63.8 |
Reflection shell | Resolution: 1.9→1.97 Å / Redundancy: 10.2 % / Rmerge(I) obs: 0.37 / Mean I/σ(I) obs: 7.5 / Num. unique all: 2872 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2Q1V Resolution: 1.9→34.27 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 156293.56 / 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: 53.5006 Å2 / ksol: 0.381944 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.9→34.27 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→2.02 Å / Rfactor Rfree error: 0.015 / Total num. of bins used: 6
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Xplor file |
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