UniProt Q13126
S-methyl-5'-thioadenosine phosphorylase (Q13126)
S-methyl-5'-thioadenosine phosphorylase (UniProt Q13126), EC 2.4.2.28: 34 experimental structures and 1 predicted model on GenesisL1, 18 ligands bound, 54 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q13126
- Protein
- S-methyl-5'-thioadenosine phosphorylase
- EC
- 2.4.2.28
- Experimental structures
- 34
- Predicted models
- 1
- Ligands
- 18
- Pockets
- 54 · 12 records with a druggable one
Structures
35 records of Q13126 in the MolNFT archive: 34 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1CB0 | Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase at 1.7 a resolution | x-ray diffraction | A | ADE | 3 (best 0.68) |
| 1CB0 | Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase at 1.7 a resolution | x-ray diffraction | A | — | — |
| 1CG6 | Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with… | x-ray diffraction | A | SO4, MTA | 3 (best 0.67) |
| 1CG6 | Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with… | x-ray diffraction | A | — | — |
| 1K27 | Crystal Structure of 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with a Transition… | x-ray diffraction | A | PO4, MTM | 3 (best 0.66) |
| 1K27 | Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with a transition… | x-ray diffraction | A | — | — |
| 1SD1 | Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with formycin a | x-ray diffraction | A | FMC | 2 (best 0.68) |
| 1SD1 | Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with formycin a | x-ray diffraction | A | — | — |
| 1SD2 | Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with… | x-ray diffraction | A | SO4, MTH | 2 (best 0.67) |
| 1SD2 | Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with… | x-ray diffraction | A | — | — |
| 3LN5 | Crystal structure of HLA-B*4104 in complex with a 11mer self-peptide derived from… | x-ray diffraction | C | — | — |
| 3LN5 | Crystal structure of HLA-B*4104 in complex with a 11MER self-peptide derived from… | x-ray diffraction | C | — | — |
| 3OZC | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with… | x-ray diffraction | A | — | — |
| 3OZC | Crystal structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with… | x-ray diffraction | A | — | — |
| 3OZD | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with… | x-ray diffraction | A, B | — | — |
| 3OZD | Crystal structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with… | x-ray diffraction | A, B | — | — |
| 3OZE | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3OZE | Crystal structure of human 5'-deoxy-5'-methyladenosine phosphorylase | x-ray diffraction | A, B, C, D, E, F | — | — |
| 5EUB | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A | SO4, 5S7, CL | — |
| 5EUB | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A | — | — |
| 5TC5 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A, B, C | BIG, CL | 11 (best 0.77) |
| 5TC5 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A, B, C | BIG, CL | — |
| 5TC6 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A | 7A6, PO4, NA, CL | 2 (best 0.65) |
| 5TC6 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A | 7A6, PO4, NA, CL | — |
| 5TC7 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A | PO4, MTH, CL | — |
| 5TC8 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A | TDI, PO4, MG, CL | — |
| 6DYZ | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A | CL, PO4, OS2 | 2 (best 0.68) |
| 6DYZ | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A | CL, PO4, OS2 | — |
| 6DZ0 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A | PO4, OS3, CL | 3 (best 0.68) |
| 6DZ0 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A | PO4, OS3, CL | — |
| 6DZ2 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A, B, C | CL, OS5 | 10 (best 0.76) |
| 6DZ2 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A, B, C | CL, OS5 | — |
| 6DZ3 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A, B, C | CL, OS6 | 11 (best 0.78) |
| 6DZ3 | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with… | x-ray diffraction | A, B, C | CL, OS6 | — |
| Q13126 | AlphaFold monomer V2.0 prediction for S-methyl-5'-thioadenosine phosphorylase (Q13126) | predicted | A | — | 2 (best 0.65) |
Ligands
- CL · Chloride ion · in 15 records
- PO4 · Phosphate ion · in 9 records
- SO4 · Sulfate ion · in 3 records
- 7A6 · (2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol · in 2 records
- BIG · (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl) methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol · in 2 records
- MTH · 2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol · in 2 records
- NA · Sodium ion · in 2 records
- OS2 · (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl) methyl]-4-{[(prop-2-yn-1-yl) sulfanyl]methyl}pyrrolidin-3-ol · in 2 records
- OS3 · (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl) methyl]-4-{[(pent-4-yn-1-yl) sulfanyl]methyl}pyrrolidin-3-ol · in 2 records
- OS5 · (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl) methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl) propyl]sulfanyl}methyl)pyrrolidin-3-ol · in 2 records
- OS6 · (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl) methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl) propyl]sulfanyl}methyl)pyrrolidin-3-ol · in 2 records
- 5S7 · (2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol · in 1 record
- ADE · Adenine · in 1 record
- FMC · (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol · in 1 record
- MG · Magnesium ion · in 1 record
- MTA · 5'-deoxy-5'-methylthioadenosine · in 1 record
- MTM · (3S,4R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol · in 1 record
- TDI · (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl) methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol · in 1 record
Experiment against prediction
- 1SD1 chain A against the predicted model Q13126: TM-score 0.99, RMSD 0.63 Å
- 1SD1 chain A against the predicted model Q13126: TM-score 0.99, RMSD 0.63 Å
- 5EUB chain A against the predicted model Q13126: TM-score 0.99, RMSD 0.64 Å
- 5EUB chain A against the predicted model Q13126: TM-score 0.99, RMSD 0.64 Å
- 1SD2 chain A against the predicted model Q13126: TM-score 0.99, RMSD 0.63 Å
- 1SD2 chain A against the predicted model Q13126: TM-score 0.99, RMSD 0.63 Å
- 1K27 chain A against the predicted model Q13126: TM-score 0.99, RMSD 0.64 Å
- 1K27 chain A against the predicted model Q13126: TM-score 0.99, RMSD 0.64 Å
- 1CB0 chain A against the predicted model Q13126: TM-score 0.99, RMSD 0.65 Å
- 1CB0 chain A against the predicted model Q13126: TM-score 0.99, RMSD 0.65 Å
Elsewhere
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