Gaucher Disease: Task 04 - Structural Alignment

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Revision as of 22:03, 3 June 2013 by Gerkej (talk | contribs) (Structural alignment methods)

Exploring Structural Alignments

Sequences of Data Set

Sequence Set
PDB ID Protein name Classification Category
1OGS Glucocerebrosidase Glycosidases (3.20.20.80) unfilled binding sites (reference structure)
2xwd Glucocerebrosidase Glycosidases (3.20.20.80) filled binding sites
2nsx Glucocerebrosidase Glycosidases (3.20.20.80) filled binding sites
2nt1 Glucocerebrosidase at neutral pH Glycosidases (3.20.20.80) Sequence identity >60%
2f7k/3zr6 unrelated <30%
1gep Sulfite reductase Adolase class I (3.20.20.70) identical in CAT
2isb Fumarase of FUM-1 from Archaeoglobus Fulgidus Fumarase (3.20.130.10) identical in CA
2djf Human dipeptidyl peptidase I (in complex) Cysteine proteinases (3.90.70.10) identical in C
2qgu Phospholipid-binding protein from Ralstonia solanacearum (in complex) Phospholipid-binding protein (1.10.10.640) different in C

CATH:
3.20.20 TIM Barrel
3.20 Alpha-Beta Barrel
3 Alpha Beta
1 mostly Alpha

Structural alignment methods

RMSD for Structural Alignments of 1OGS Chain A
PDB ID of second molecule SSAP LGA TopMatch CE
2xwd 0.89 0.62
2nsx 0.24
2nt1 0.68
2f7k/3zr6
1gep 4.85
2isb 14.52
2djf 9.87
2qgu 21.03

Evaluation of structural alignments and sequence alignments