Difference between revisions of "Structure-based mutation analysis"
m (→General) |
m (→General) |
||
| Line 1: | Line 1: | ||
==General== |
==General== |
||
| − | 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 and is complete. '1DE4' has a slightly better R-Value, 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. |
+ | 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, 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]] |
||
| Line 14: | Line 14: | ||
!R-Value |
!R-Value |
||
!R-Free |
!R-Free |
||
| + | !pH |
||
| + | !Completeness |
||
|- |
|- |
||
| − | |1A6Z||X-ray||2.60||A/C||0.233||0.277 |
+ | |1A6Z||X-ray||2.60||A/C||0.233||0.277||6.5||0.98 |
|- |
|- |
||
| − | |1C42||model||-||A||-||- |
+ | |1C42||model||-||A||-||-||- |
|- |
|- |
||
| − | |1DE4||X-ray||2.80||A/D/G||0.231||0.265 |
+ | |1DE4||X-ray||2.80||A/D/G||0.231||0.265||8.0||0.998 |
|} |
|} |
||
Revision as of 11:34, 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, 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 | Completeness |
|---|---|---|---|---|---|---|---|
| 1A6Z | X-ray | 2.60 | A/C | 0.233 | 0.277 | 6.5 | 0.98 |
| 1C42 | model | - | A | - | - | - | |
| 1DE4 | X-ray | 2.80 | A/D/G | 0.231 | 0.265 | 8.0 | 0.998 |
SCWRL
Energy comparison
References
<references />
