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Open data
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Basic information
Entry | Database: PDB / ID: 2xkg | ||||||
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Title | C.lacteus mini-Hb Leu86Ala mutant | ||||||
![]() | NEURAL HEMOGLOBIN | ||||||
![]() | OXYGEN STORAGE / METAL-BINDING | ||||||
Function / homology | ![]() oxygen carrier activity / oxygen binding / heme binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Pesce, A. / Nardini, M. / Dewilde, S. / Capece, L. / Marti, M.A. / Congia, S. / Salter, M.D. / Blouin, G.C. / Estrin, D.A. / Ascenzi, P. ...Pesce, A. / Nardini, M. / Dewilde, S. / Capece, L. / Marti, M.A. / Congia, S. / Salter, M.D. / Blouin, G.C. / Estrin, D.A. / Ascenzi, P. / Moens, L. / Bolognesi, M. / Olson, J.S. | ||||||
![]() | ![]() Title: Ligand Migration in the Apolar Tunnel of Cerebratulus Lacteus Mini-Hemoglobin. Authors: Pesce, A. / Nardini, M. / Dewilde, S. / Capece, L. / Marti, M.A. / Congia, S. / Salter, M.D. / Blouin, G.C. / Estrin, D.A. / Ascenzi, P. / Moens, L. / Bolognesi, M. / Olson, J.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 | ![]() | 40.5 KB | Display | ![]() |
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PDB format | ![]() | 26.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 788.4 KB | Display | ![]() |
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Full document | ![]() | 789 KB | Display | |
Data in XML | ![]() | 8.5 KB | Display | |
Data in CIF | ![]() | 11.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2xkhC ![]() 2xkiC ![]() 1kr7S S: Starting model for refinement C: citing same article ( |
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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: 11504.869 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Tissue: NERVE TISSUE / Production host: ![]() ![]() | ||||
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#2: Chemical | ChemComp-HEM / | ||||
#3: Chemical | ChemComp-OXY / | ||||
#4: Chemical | ChemComp-SO4 / #5: Water | ChemComp-HOH / | Compound details | ENGINEERED | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 51 % / Description: NONE |
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Crystal grow | Temperature: 277 K / pH: 6 Details: 60 % AMMONIUM SULFATE AND 50 MM SODIUM ACETATE BUFFER, PH 6, AT 4C |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→34.9 Å / Num. obs: 15045 / % possible obs: 99.7 % / Observed criterion σ(I): 0 / Redundancy: 3.9 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 24.1 |
Reflection shell | Resolution: 1.6→1.69 Å / Redundancy: 4 % / Rmerge(I) obs: 0.1 / Mean I/σ(I) obs: 12.7 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1KR7 Resolution: 1.6→21.25 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.948 / SU B: 1.177 / SU ML: 0.043 / Cross valid method: THROUGHOUT / ESU R: 0.08 / ESU R Free: 0.082 / 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: 11.247 Å2
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Refinement step | Cycle: LAST / Resolution: 1.6→21.25 Å
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Refine LS restraints |
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