Difference between revisions of "Structure-based mutation analysis"
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==General== |
==General== |
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| − | According to the [http://www.uniprot.org/uniprot/Q30201#section_x-ref UniProt] entry about HFE_HUMAN are three 3D-structures of the HFE_HUMAN available, which are listed below. We have chosen the '1A6Z' because it has the best resolution, a very good R-Value, a pH near the physiological optimum and is as good as complete. '1DE4' has a slightly better R-Value |
+ | According to the [http://www.uniprot.org/uniprot/Q30201#section_x-ref UniProt] entry about HFE_HUMAN are three 3D-structures of the HFE_HUMAN available, which are listed below. We have chosen the '1A6Z' because it has the best resolution, a very good R-Value, a pH near the physiological optimum and is as good as complete. '1DE4' has a slightly better R-Value and pH, but this PDB also includes the transferrin receptor, which we do not need and do not want in our structure. '1C42' is only a hypothetical model, so we exclude it from further research. |
[[Image:1a6z_properties.PNG|thumb|stereochemistrical properties of 1a6z]] |
[[Image:1a6z_properties.PNG|thumb|stereochemistrical properties of 1a6z]] |
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!R-Free |
!R-Free |
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!pH |
!pH |
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| − | !Completeness |
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| − | |1A6Z||X-ray||2.60||A/C||0.233||0.277||6.5 |
+ | |1A6Z||X-ray||2.60||A/C||0.233||0.277||6.5 |
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|1C42||model||-||A||-||-||-||- |
|1C42||model||-||A||-||-||-||- |
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| − | |1DE4||X-ray||2.80||A/D/G||0.231||0.265||8.0 |
+ | |1DE4||X-ray||2.80||A/D/G||0.231||0.265||8.0 |
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Revision as of 11:47, 30 June 2011
Contents
General
According to the UniProt entry about HFE_HUMAN are three 3D-structures of the HFE_HUMAN available, which are listed below. We have chosen the '1A6Z' because it has the best resolution, a very good R-Value, a pH near the physiological optimum and is as good as complete. '1DE4' has a slightly better R-Value and pH, but this PDB also includes the transferrin receptor, which we do not need and do not want in our structure. '1C42' is only a hypothetical model, so we exclude it from further research.
All stereochemistrical properties of the structure are shown in the figure to the right<ref>Lebrón JA, Bennett MJ, Vaughn DE, Chirino AJ, Snow PM, Mintier GA, Feder JN, Bjorkman PJ.: Crystal structure of the hemochromatosis protein HFE and characterization of its interaction with transferrin receptor.</ref>.
| PDB | Method | Resolution (Å) | Chain | R-Value | R-Free | pH | |
|---|---|---|---|---|---|---|---|
| 1A6Z | X-ray | 2.60 | A/C | 0.233 | 0.277 | 6.5 | |
| 1C42 | model | - | A | - | - | - | - |
| 1DE4 | X-ray | 2.80 | A/D/G | 0.231 | 0.265 | 8.0 |
SCWRL
Energy comparison
References
<references />
