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- PDB-6psa: PIE12 D-PEPTIDE AGAINST HIV ENTRY (IN COMPLEX WITH IQN17 Q577R RE... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6psa | ||||||
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Title | PIE12 D-PEPTIDE AGAINST HIV ENTRY (IN COMPLEX WITH IQN17 Q577R RESISTANCE MUTANT) | ||||||
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Function / homology | ![]() Synthesis and processing of ENV and VPU / protein localization to nuclear periphery / FCERI mediated MAPK activation / Activation of the AP-1 family of transcription factors / response to amino acid starvation / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | synthetic construct (others)![]() ![]() ![]() ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Hill, C.P. / Whitby, F.G. / Kay, M. / Weinstock, M. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Characterization of resistance to a potent D-peptide HIV entry inhibitor. Authors: Smith, A.R. / Weinstock, M.T. / Siglin, A.E. / Whitby, F.G. / Francis, J.N. / Hill, C.P. / Eckert, D.M. / Root, M.J. / Kay, M.S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 49.3 KB | Display | ![]() |
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PDB format | ![]() | 40.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components
#1: Polypeptide(D) | Mass: 2029.301 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) | ||||
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#2: Protein/peptide | Mass: 5542.534 Da / Num. of mol.: 1 Fragment: GP41 HYDROPHOBIC POCKET, RESIDUES 565-581, GCN4, RESIDUES 249-276 Mutation: Q577R / Source method: obtained synthetically Source: (synth.) ![]() ![]() ![]() ![]() ![]() ![]() References: UniProt: P03069, UniProt: P04578 | ||||
#3: Chemical | ![]() #4: Water | ChemComp-HOH / | ![]() Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.05 Å3/Da / Density % sol: 40.01 % |
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Crystal grow![]() | Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 4.6 Details: HAMPTON RESEARCH SALT RX SCREEN, CONDITION B4 - 1.8M AMMONIUM CITRATE DIBASIC, 0.1 M SODIUM ACETATE TRIHYDRATE, PH 4.6 Temp details: K |
-Data collection
Diffraction | Mean temperature: 100 K / Ambient temp details: K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 19, 2011 |
Radiation | Monochromator: M / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.3→50 Å / Num. obs: 14574 / % possible obs: 98.5 % / Redundancy: 10.1 % / Rmerge(I) obs: 0.074 / Net I/σ(I): 26.2 |
Reflection shell | Resolution: 1.3→1.32 Å / Redundancy: 7.1 % / Rmerge(I) obs: 0.375 / % possible all: 99.9 |
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Processing
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Refinement | Method to determine structure![]() ![]()
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Solvent computation | Shrinkage radii: 1.13 Å / VDW probe radii: 1.2 Å / Bsol: 66.47 Å2 / ksol: 0.56 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 26.18 Å2
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Refinement step | Cycle: LAST / Resolution: 1.3→13.21 Å
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Refine LS restraints |
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LS refinement shell |
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