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Transformation of coordinates found in PDB

Biology Asked by Slowpoke on August 2, 2020

According to the PDB guide there are some coordinate translation matrices found in PDB file:

ORIGXn                  Transformation from orthogonal  coordinates to the
                        submitted coordinates (n = 1, 2, or 3).
SCALEn                  Transformation from orthogonal coordinates to fractional
                        crystallographic coordinates  (n = 1, 2, or 3).
MTRIXn                  Transformations expressing non-crystallographic symmetry
                        (n = 1, 2, or 3). There may be multiple sets of these records.

For example, in 10gs complex from RCSB I see:

ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.012543  0.000000  0.001805        0.00000                         
SCALE2      0.000000  0.011055  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014557        0.00000                         
MTRIX1   1  0.945333  0.099229  0.310644       -5.48795    1                    
MTRIX2   1  0.099832 -0.994906  0.013998       21.83043    1                    
MTRIX3   1  0.310451  0.017779 -0.950423       27.67516    1 

I want to do 3D voxel reconstruction of some part of the complex stored in PDB. What is the purpose of those matrices, do I need to apply any of those translations to the coordinates stored in PDB to "standartize" the data and obtain the same coordinate system and same grid for different PDBs? Or they are just related to the data which was submitted by authors and are needed for inverse translation? Or something else? Thank you very much!

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