UniProt P9WPP7
Mycocyclosin synthase (P9WPP7)
Mycocyclosin synthase (UniProt P9WPP7), EC 1.14.19.70: 6 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 7 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P9WPP7
- Protein
- Mycocyclosin synthase
- EC
- 1.14.19.70
- Experimental structures
- 6
- Predicted models
- 1
- Ligands
- 9
- Pockets
- 7 · 3 records with a druggable one
Structures
7 records of P9WPP7 in the MolNFT archive: 6 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 7NQM | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 | x-ray diffraction | A | HEC, UMZ, SO4, CL | 2 (best 0.87) |
| 7NQM | Mycobacterium tuberculosis cytochrome P450 CYP121 in complex with lead compound 10 | x-ray diffraction | A | HEC, UMZ, SO4, CL | — |
| 7NQN | Mycobacterium tuberculosis cytochrome P450 CYP121 in complex with lead compound 14 | x-ray diffraction | A | HEM, UMT, SO4, CL | — |
| 7NQO | Mycobacterium tuberculosis cytochrome P450 CYP121 in complex with lead compound 21 | x-ray diffraction | A | HEC, ULZ, SO4, CL | — |
| 8TDP | Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for… | x-ray diffraction | A | SO4, HEM, YTT, PEO | 2 (best 0.87) |
| 8TDQ | SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | x-ray diffraction | A | SO4, HEM, YTT | 3 (best 0.87) |
| P9WPP7 | AlphaFold monomer V2.0 prediction for mycocyclosin synthase (P9WPP7) | predicted | A | — | — |
Ligands
- SO4 · Sulfate ion · in 6 records
- CL · Chloride ion · in 4 records
- HEC · Heme C · in 3 records
- HEM · Protoporphyrin IX containing Fe · in 3 records
- UMZ · 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole · in 2 records
- YTT · (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione · in 2 records
- PEO · Hydrogen peroxide · in 1 record
- ULZ · 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine · in 1 record
- UMT · 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine · in 1 record
Experiment against prediction
- 8TDQ chain A against the predicted model P9WPP7: TM-score 0.99, RMSD 0.71 Å
- 8TDP chain A against the predicted model P9WPP7: TM-score 0.99, RMSD 0.73 Å
- 7NQO chain A against the predicted model P9WPP7: TM-score 0.99, RMSD 0.73 Å
- 7NQN chain A against the predicted model P9WPP7: TM-score 0.99, RMSD 0.85 Å
- 7NQM chain A against the predicted model P9WPP7: TM-score 0.99, RMSD 0.87 Å
- 7NQM chain A against the predicted model P9WPP7: TM-score 0.99, RMSD 0.87 Å
Elsewhere
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