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Open data
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Basic information
Entry | Database: PDB / ID: 2av0 | |||||||||
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Title | F97L with CO bound | |||||||||
![]() | Globin I | |||||||||
![]() | OXYGEN STORAGE/TRANSPORT / Oxygen transport / oxygen binding / allosteric / hemoglobin / OXYGEN STORAGE-TRANSPORT COMPLEX | |||||||||
Function / homology | ![]() oxygen carrier activity / oxygen binding / response to hypoxia / heme binding / identical protein binding / metal ion binding / cytoplasm Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() | |||||||||
![]() | Knapp, J.E. / Bonham, M.A. / Gibson, Q.H. / Nichols, J.C. / Royer Jr., W.E. | |||||||||
![]() | ![]() Title: Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin Authors: Knapp, J.E. / Bonham, M.A. / Gibson, Q.H. / Nichols, J.C. / Royer Jr., W.E. #1: ![]() Title: Mutation of residue Phe97 to LEU disrupts the central allosteric pathway in scapharca dimeric hemoglobin Authors: Pardanani, A. / Gibson, Q.H. / Colotti, G. / Royer Jr., W.E. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 75.9 KB | Display | ![]() |
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PDB format | ![]() | 55.8 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 | ![]() | 15.6 KB | Display | |
Data in CIF | ![]() | 21.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2auoC ![]() 2aupC ![]() 2auqC ![]() 2aurC ![]() 2av3C ![]() 3sdhS 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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1 |
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Unit cell |
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Details | The A and B chains form the biological dimeric unit |
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Components
#1: Protein | Mass: 15933.286 Da / Num. of mol.: 2 / Mutation: F97L 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: 2.24 Å3/Da / Density % sol: 44.6 % |
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Crystal grow | Temperature: 298 K / Method: small tubes / pH: 7.5 / Details: Phosphate, pH 7.5, SMALL TUBES, temperature 298K |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Apr 8, 1995 / Details: Collimator |
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: 1.5→40 Å / Num. all: 46235 / Num. obs: 40594 / % possible obs: 87.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Biso Wilson estimate: 20.7 Å2 / Rmerge(I) obs: 0.0552 / Rsym value: 0.0552 |
Reflection shell | Resolution: 1.5→1.55 Å / % possible all: 54.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 3SDH Resolution: 1.5→38.43 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 1489678.85 / Data cutoff low absF: 0 / Isotropic thermal model: Inidividual / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 69.7764 Å2 / ksol: 0.344056 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.3 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.5→38.43 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.5→1.55 Å / Rfactor Rfree error: 0.027 / Total num. of bins used: 10
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Xplor file |
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