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Open data
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Basic information
Entry | Database: PDB / ID: 1i3e | |||||||||
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Title | HUMAN AZIDO-MET HEMOGLOBIN BART'S (GAMMA4) | |||||||||
![]() | HEMOGLOBIN GAMMA CHAINS | |||||||||
![]() | OXYGEN STORAGE/TRANSPORT / OXYGEN TRANSPORT / OXYGEN STORAGE-TRANSPORT COMPLEX | |||||||||
Function / homology | ![]() hemoglobin alpha binding / haptoglobin binding / haptoglobin-hemoglobin complex / organic acid binding / hemoglobin complex / oxygen transport / hydrogen peroxide catabolic process / oxygen carrier activity / carbon dioxide transport / oxygen binding ...hemoglobin alpha binding / haptoglobin binding / haptoglobin-hemoglobin complex / organic acid binding / hemoglobin complex / oxygen transport / hydrogen peroxide catabolic process / oxygen carrier activity / carbon dioxide transport / oxygen binding / peroxidase activity / Factors involved in megakaryocyte development and platelet production / blood microparticle / heme binding / metal ion binding / cytosol Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() | |||||||||
![]() | Kidd, R.D. / Baker, H.M. / Mathews, A.J. / Brittain, T. / Baker, E.N. | |||||||||
![]() | ![]() Title: Oligomerization and ligand binding in a homotetrameric hemoglobin: two high-resolution crystal structures of hemoglobin Bart's (gamma(4)), a marker for alpha-thalassemia. Authors: Kidd, R.D. / Baker, H.M. / Mathews, A.J. / Brittain, T. / Baker, E.N. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 78.8 KB | Display | ![]() |
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PDB format | ![]() | 58.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 19.8 KB | Display | |
Data in CIF | ![]() | 26.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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 on special symmetry positions |
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Details | The second globin dimer of the homotetramer is generated by the two fold axis: -x, -y+1, z. |
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Components
#1: Protein | Mass: 16031.255 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2 Å3/Da / Density % sol: 40 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: acetic acid/KOH, MePEG 5000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K | ||||||||||||||||||||||||||||||
Crystal | *PLUS Density % sol: 41.4 % | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 18 ℃ / pH: 7 | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ![]() |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Sep 30, 1999 / Details: mirrors |
Radiation | Monochromator: MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.86→25 Å / Num. all: 22691 / Num. obs: 22691 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Redundancy: 6.9 % / Biso Wilson estimate: 16.9 Å2 / Rmerge(I) obs: 0.064 / Net I/σ(I): 14.1 |
Reflection shell | Resolution: 1.86→1.93 Å / Redundancy: 5.9 % / Rmerge(I) obs: 0.261 / Mean I/σ(I) obs: 6.9 / Num. unique all: 2196 / % possible all: 98.3 |
Reflection | *PLUS Num. measured all: 156828 |
Reflection shell | *PLUS % possible obs: 98.3 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: HUMAN CARBONMONOXY HEMOGLOBIN BART'S Resolution: 1.86→20 Å / Rfactor Rfree error: 0.005 / Isotropic thermal model: Overall / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 42.8372 Å2 / ksol: 0.359614 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 16.9 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.86→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.86→1.98 Å / Rfactor Rfree error: 0.016 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 1 / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / σ(F): 0 / % reflection Rfree: 9.9 % / Rfactor obs: 0.184 / Rfactor Rfree: 0.22 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 16.9 Å2 | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.294 / % reflection Rfree: 9.9 % / Rfactor Rwork: 0.273 |