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- PDB-1thb: REFINEMENT OF A PARTIALLY OXYGENATED T STATE HAEMOGLOBIN AT 1.5 A... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1thb | |||||||||
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Title | REFINEMENT OF A PARTIALLY OXYGENATED T STATE HAEMOGLOBIN AT 1.5 ANGSTROMS RESOLUTION | |||||||||
![]() | (HEMOGLOBIN A ...![]() | |||||||||
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Function / homology | ![]() cellular oxidant detoxification / nitric oxide transport / hemoglobin alpha binding / haptoglobin-hemoglobin complex / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() | |||||||||
![]() | Waller, D.A. / Liddington, R.C. | |||||||||
![]() | ![]() Title: Refinement of a partially oxygenated T state human haemoglobin at 1.5 A resolution. Authors: Waller, D.A. / Liddington, R.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 | ![]() | 136.8 KB | Display | ![]() |
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PDB format | ![]() | 103 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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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Atom site foot note | 1: HIS D 2 AND ITS NEIGHBORS ARE VERY POORLY ORDERED IN DENSITY MAPS AND THIS IS REFLECTED IN THE TEMPERATURE FACTORS. HOWEVER, THE CONFORMATION DEPICTED IS THAT WHICH BEST FITS THE AVAILABLE DENSITY ...1: HIS D 2 AND ITS NEIGHBORS ARE VERY POORLY ORDERED IN DENSITY MAPS AND THIS IS REFLECTED IN THE TEMPERATURE FACTORS. HOWEVER, THE CONFORMATION DEPICTED IS THAT WHICH BEST FITS THE AVAILABLE DENSITY AFTER REPEATED EXAMINATION INCLUDING THE USE OF OMIT MAPS. 2: IHP HAS NOT BEEN REFINED OR INCLUDED IN ANY MAP CALCULATION. IHP IS INCLUDED ONLY TO AID IN VISUALIZATION OF WEAK ELECTRON DENSITY AND FOR ILLUSTRATION OF THE BINDING SITE. | ||||||||
Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.774, -0.464979, -0.428988), Vector ![]() |
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Components
-HEMOGLOBIN A ... , 2 types, 4 molecules ACBD
#1: Protein | Mass: 15150.353 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() #2: Protein | Mass: 15890.198 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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-Non-polymers , 4 types, 321 molecules ![](data/chem/img/HEM.gif)
![](data/chem/img/OXY.gif)
![](data/chem/img/IHP.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/OXY.gif)
![](data/chem/img/IHP.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-HEM / ![]() #4: Chemical | ![]() #5: Chemical | ChemComp-IHP / | ![]() #6: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.47 Å3/Da / Density % sol: 50.21 % | |||||||||||||||
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Crystal grow![]() | *PLUS Method: batch method / PH range low: 7.4 / PH range high: 7.2 | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | *PLUS Highest resolution: 1.5 Å / Num. obs: 73013 / Observed criterion σ(I): 3 / Rmerge(I) obs: 0.14 / Biso Wilson estimate: 32.3 Å2 |
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Processing
Software | Name: PROLSQ / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Resolution: 1.5→10 Å / Rfactor obs: 0.196 Details: HIS D 2 AND ITS NEIGHBORS ARE VERY POORLY ORDERED IN DENSITY MAPS AND THIS IS REFLECTED IN THE TEMPERATURE FACTORS. HOWEVER, THE CONFORMATION DEPICTED IS THAT WHICH BEST FITS THE AVAILABLE ...Details: HIS D 2 AND ITS NEIGHBORS ARE VERY POORLY ORDERED IN DENSITY MAPS AND THIS IS REFLECTED IN THE TEMPERATURE FACTORS. HOWEVER, THE CONFORMATION DEPICTED IS THAT WHICH BEST FITS THE AVAILABLE DENSITY AFTER REPEATED EXAMINATION INCLUDING THE USE OF OMIT MAPS. IHP HAS NOT BEEN REFINED OR INCLUDED IN ANY MAP CALCULATION. IHP IS INCLUDED ONLY TO AID IN VISUALIZATION OF WEAK ELECTRON DENSITY AND FOR ILLUSTRATION OF THE BINDING SITE. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.5→10 Å
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Refine LS restraints |
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