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Open data
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Basic information
Entry | Database: PDB / ID: 2zlw | ||||||
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Title | Horse methemoglobin high salt, pH 7.0 (75% relative humidity) | ||||||
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![]() | Oxygen storage / Oxygen transport / protein hydration / allosteric transitions / variability in quaternary structure / solvent content and crystal structure / water-mediated transformation / Heme / Iron / Metal-binding / Polymorphism / Transport | ||||||
Function / homology | ![]() hemoglobin alpha binding / haptoglobin binding / haptoglobin-hemoglobin complex / organic acid binding / hemoglobin complex / hydrogen peroxide catabolic process / oxygen carrier activity / oxygen binding / peroxidase activity / blood microparticle ...hemoglobin alpha binding / haptoglobin binding / haptoglobin-hemoglobin complex / organic acid binding / hemoglobin complex / hydrogen peroxide catabolic process / oxygen carrier activity / oxygen binding / peroxidase activity / blood microparticle / iron ion binding / heme binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Kaushal, P.S. / Sankaranarayanan, R. / Vijayan, M. | ||||||
![]() | ![]() Title: Water-mediated variability in the structure of relaxed-state haemoglobin Authors: Kaushal, P.S. / Sankaranarayanan, R. / Vijayan, M. #1: ![]() Title: A new relaxed state in horse methemoglobin characterized by crystallographic studies Authors: Sankaranarayanan, R. / Biswal, B.K. / Vijayan, M. #2: ![]() Title: Structures of human oxy- and deoxyhaemoglobin at different levels of humidity: variability in the T state Authors: Biswal, B.K. / Vijayan, M. #3: ![]() Title: Structure of human methaemoglobin: The variation of a theme Authors: Biswal, B.K. / Vijayan, M. #4: ![]() Title: The structure of hemoglobin III: Direct determination of the molecular transform Authors: Perutz, M.F. #5: ![]() Title: Discontinuous lattice changes in hemoglobin crystal Authors: Huxley, H.E. / Kendrew, J.C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 121.9 KB | Display | ![]() |
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PDB format | ![]() | 97.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.7 MB | Display | ![]() |
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Full document | ![]() | 1.7 MB | Display | |
Data in XML | ![]() | 25.9 KB | Display | |
Data in CIF | ![]() | 33 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2zltC ![]() 2zluC ![]() 2zlvC ![]() 2zlxC ![]() 2mhbS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 15138.280 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() #2: Protein | Mass: 16032.274 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() #3: Chemical | ChemComp-HEM / |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.77 Å3/Da / Density % sol: 55.57 % |
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Crystal grow | Temperature: 298 K / Method: liquid diffusion / pH: 7 Details: 2.6M ammonium sulfate, 0.01M ammonium phosphate, pH 7.0, LIQUID DIFFUSION, temperature 298.0K |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jul 16, 2006 / Details: OSMIC MIRROR |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.9→20 Å / Num. obs: 14192 / % possible obs: 92.9 % / Redundancy: 1.3 % / Biso Wilson estimate: 44 Å2 / Rmerge(I) obs: 0.185 / Net I/σ(I): 4.6 |
Reflection shell | Resolution: 2.9→3 Å / Rmerge(I) obs: 0.378 / Mean I/σ(I) obs: 2.7 / Num. unique all: 1443 / % possible all: 94.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2MHB Resolution: 2.9→19.92 Å / Cor.coef. Fo:Fc: 0.903 / Cor.coef. Fo:Fc free: 0.884 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.516 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.659 Å2
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Refinement step | Cycle: LAST / Resolution: 2.9→19.92 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.9→2.974 Å / Total num. of bins used: 20
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