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Open data
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Basic information
Entry | Database: PDB / ID: 4lb2 | ||||||
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Title | X-ray study of human serum albumin complexed with idarubicin | ||||||
![]() | SERUM ALBUMIN![]() | ||||||
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Function / homology | ![]() cellular response to calcium ion starvation / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Wang, Z. / Ho, J.X. / Ruble, J. / Rose, J.P. / Carter, D.C. | ||||||
![]() | ![]() Title: Structural studies of several clinically important oncology drugs in complex with human serum albumin. Authors: Wang, Z.M. / Ho, J.X. / Ruble, J.R. / Rose, J. / Ruker, F. / Ellenburg, M. / Murphy, R. / Click, J. / Soistman, E. / Wilkerson, L. / Carter, D.C. #1: ![]() Year: 2010 Title: Crystallographic survey of albumin drug interaction and preliminary applications in cancer chemotherapy Authors: Carter, D.C. #2: ![]() Title: Structure of Serum Albumin Authors: Carter, D.C. / Ho, J.X. #3: Journal: Eur.J.Biochem. / Year: 1994 Title: Preliminary crystallographic studies of four crystal forms of serum albumin. Authors: Carter, D.C. / Chang, B. / Ho, J.X. / Keeling, K. / Krishnasami, Z. #4: ![]() Title: Erratum. Atomic Structure and Chemistry of Human Serum Albumin Authors: Ho, X.M. / Carter, D.C. #5: ![]() Title: Atomic structure and chemistry of human serum albumin. Authors: He, X.M. / Carter, D.C. #6: ![]() Title: Structure of Human Serum Albumin Authors: Carter, D.C. / Ho, X.M. #7: Journal: Science / Year: 1989 Title: Three-dimensional structure of human serum albumin. Authors: Carter, D.C. / He, X.M. / Munson, S.H. / Twigg, P.D. / Gernert, K.M. / Broom, M.B. / Miller, T.Y. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 234.3 KB | Display | ![]() |
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PDB format | ![]() | 196.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain: (Details: chain B and segid HSB) NCS domain segments: (Selection details: chain 'B' and segid 'HSB ') |
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Components
#1: Protein | ![]() Mass: 66571.219 Da / Num. of mol.: 2 / Fragment: UNP residues 25-609 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() #2: Chemical | ChemComp-DM5 / ![]() #3: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.28 Å3/Da / Density % sol: 46.11 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: PEG 3350, POTASSIUM PHOSPHATE, Crystals of the complexes were obtained by standard vapor equilibration methods with conditions optimized by screens varying protein concentration, pH, drug ...Details: PEG 3350, POTASSIUM PHOSPHATE, Crystals of the complexes were obtained by standard vapor equilibration methods with conditions optimized by screens varying protein concentration, pH, drug molar ratios, centered on the original crystallization hit using protocols described previously for the monoclinic [Carter, et al., Eur. J. Biochemistry (1994) 226: 1049-1052] and triclinic [Sugo, et al., Protein Eng (1999) 12: 439-446] crystal forms., pH 7.5, vapor diffusion, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Jan 1, 2003 / Details: CONFOCAL OPTICS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: CONFOCAL OPTICS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.7→30 Å / Num. obs: 31105 / % possible obs: 96.2 % / Rmerge(I) obs: 0.075 / Χ2: 4.351 / Net I/σ(I): 13.8 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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Processing
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Refinement | Method to determine structure![]() ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 103.23 Å2 / Biso mean: 43.1098 Å2 / Biso min: 12.8 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.8→28.163 Å
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Refine LS restraints |
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Refine LS restraints NCS | Number: 5405 / Type: POSITIONAL / Rms dev position: 12.635 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 10
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