+Open data
-Basic information
Entry | Database: PDB / ID: 3k9a | ||||||
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Title | Crystal Structure of HIV gp41 with MPER | ||||||
Components | HIV glycoprotein gp41 | ||||||
Keywords | VIRAL PROTEIN / HIV / gp41 / membrane proximal external region / MPER | ||||||
Function / homology | Helix Hairpins - #210 / Helix Hairpins / Orthogonal Bundle / Mainly Alpha Function and homology information | ||||||
Biological species | Human immunodeficiency virus 1 | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Molecular replacement, Br SAD / Resolution: 2.1 Å | ||||||
Authors | Shi, W. / Han, D. / Habte, H. / Cho, M. / Chance, M.R. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2010 Title: Structural characterization of HIV gp41 with the membrane-proximal external region Authors: Shi, W. / Bohon, J. / Han, D.P. / Habte, H. / Qin, Y. / Cho, M.W. / Chance, M.R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3k9a.cif.gz | 28.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3k9a.ent.gz | 18.3 KB | Display | PDB format |
PDBx/mmJSON format | 3k9a.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/k9/3k9a ftp://data.pdbj.org/pub/pdb/validation_reports/k9/3k9a | HTTPS FTP |
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-Related structure data
Related structure data | 1aikS 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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-Components
#1: Protein | Mass: 12722.096 Da / Num. of mol.: 1 / Fragment: gp41 fusion protein / Mutation: HR1+4XGly+HR2+MPER Source method: isolated from a genetically manipulated source Source: (gene. exp.) Human immunodeficiency virus 1 / Strain: MCON6 / Gene: gp41 / Production host: Escherichia coli (E. coli) |
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#2: Water | ChemComp-HOH / |
Sequence details | THIS IS A FUSION PROTEIN WITH A LINKER GGGGS IN THE MIDDLE AND SIX-RESIDUES HIS TAGS AT THE C-TERMINUS END |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.25 Å3/Da / Density % sol: 45.37 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 45% MPD, 0.2 M sodium acetate, 0.1 M Bis-tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X29A / Wavelength: 1.08 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 28, 2009 / Details: monochromator and mirror |
Radiation | Monochromator: SAGITALLY FOCUSED Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→50 Å / Num. obs: 7537 / % possible obs: 99.8 % / Redundancy: 30 % / Biso Wilson estimate: 40.71 Å2 / Rsym value: 0.074 / Net I/σ(I): 55.8 |
Reflection shell | Resolution: 2.1→2.14 Å / Redundancy: 29.9 % / Mean I/σ(I) obs: 6 / Num. unique all: 355 / Rsym value: 0.713 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: Molecular replacement, Br SAD Starting model: PDB entry 1AIK Resolution: 2.1→42.2 Å / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / σ(F): 1.34
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Displacement parameters | Biso mean: 51.4 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→42.2 Å
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Refine LS restraints |
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LS refinement shell |
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