MSALigMap—A Tool for Mapping Active-Site Amino Acids in PDB Structures onto Known and Novel Unannotated Homologous Sequences with Similar Function
Abstract
:1. Introduction
2. Materials and Methods
3. Results
3.1. MSALigMap Example: Protein–Ligand Analysis
3.2. MSALigMap Example: Protein–Peptide Analysis
3.3. MSALigMap Example: Protein–DNA Analysis
4. Discussion
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Structural Feature | Format |
---|---|
Alpha helix | H |
Beta strand | E |
310 helix | G |
Pi helix | I |
Bend | S |
Beta–bridge | B |
Turn | T |
Hydrogen bond | Bold |
Non-bonded interaction | Underlined |
Residue type | ClustalX color palette |
MSALigMap | Accession No. | Name, Organism, Citation |
---|---|---|
Protein–ligand | 3WXB 3O26 O48741 P21218 Q42536 | carbonyl reductase, Gallus gallus [23] salutaridine reductase, Papaver somniferum [30] NADPH:protochlorophyllide oxidoreductase A (PORA), Arabidopsis thaliana [31] PORB, Arabidopsis thaliana [31] PORC, Arabidopsis thaliana [32] |
Protein–peptide | 6QWN XP_044348989 XP_044380700 | leucine-rich repeat (LRR) extension proteins (LRXs)/RALF, Arabidopsis thaliana [24] leucine-rich repeat extension-like protein 4, Triticum aestivum pollen-specific leucine-rich repeat extension-like protein 4, Triticum aestivum |
Protein–DNA | 2LEX WRKY | AtWRKY4, Arabidopsis thaliana [25] TaWRKY, Triticum aestivum [34] |
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Hassan, S.; Haleemath Sameer, S.; Töpel, M.; Aronsson, H. MSALigMap—A Tool for Mapping Active-Site Amino Acids in PDB Structures onto Known and Novel Unannotated Homologous Sequences with Similar Function. Life 2022, 12, 2082. https://doi.org/10.3390/life12122082
Hassan S, Haleemath Sameer S, Töpel M, Aronsson H. MSALigMap—A Tool for Mapping Active-Site Amino Acids in PDB Structures onto Known and Novel Unannotated Homologous Sequences with Similar Function. Life. 2022; 12(12):2082. https://doi.org/10.3390/life12122082
Chicago/Turabian StyleHassan, Sameer, Sameena Haleemath Sameer, Mats Töpel, and Henrik Aronsson. 2022. "MSALigMap—A Tool for Mapping Active-Site Amino Acids in PDB Structures onto Known and Novel Unannotated Homologous Sequences with Similar Function" Life 12, no. 12: 2082. https://doi.org/10.3390/life12122082