UniProt Q99835
Smoothened HOMOLOG,FLAVODOXIN,SMOOTHENED homolog (Q99835)
Smoothened HOMOLOG,FLAVODOXIN,SMOOTHENED homolog (UniProt Q99835): 24 experimental structures on GenesisL1, 9 ligands bound, 32 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q99835
- Protein
- Smoothened HOMOLOG,FLAVODOXIN,SMOOTHENED homolog
- Experimental structures
- 24
- Predicted models
- 0
- Ligands
- 9
- Pockets
- 32 · 2 records with a druggable one
Structures
24 records of Q99835 in the MolNFT archive: 24 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4JKV | Structure of the human smoothened 7TM receptor in complex with an antitumor agent | x-ray diffraction | A, B | — | — |
| 4JKV | Structure of the human smoothened 7TM receptor in complex with an antitumor agent | x-ray diffraction | A, B | — | — |
| 4N4W | Structure of the human smoothened receptor in complex with SANT-1. | x-ray diffraction | A | — | — |
| 4N4W | Structure of the human smoothened receptor in complex with sant-1. | x-ray diffraction | A | — | — |
| 4O9R | Human Smoothened Receptor structure in complex with cyclopamine | x-ray diffraction | A | — | — |
| 4O9R | Human smoothened receptor structure in complex with cyclopamine | x-ray diffraction | A | — | — |
| 4QIM | Structure of the human smoothened receptor in complex with ANTA XV | x-ray diffraction | A | — | — |
| 4QIM | Structure of the human smoothened receptor in complex with anta xv | x-ray diffraction | A | — | — |
| 4QIN | Structure of the human smoothened receptor in complex with SAG1.5 | x-ray diffraction | A | — | — |
| 4QIN | Structure of the human smoothened receptor in complex with SAG1.5 | x-ray diffraction | A | — | — |
| 5L7D | Structure of human smoothened in complex with cholesterol | x-ray diffraction | A, B | NAG, CLR, NA | — |
| 5L7I | Structure of human Smoothened in complex with Vismodegib | x-ray diffraction | A, B | NAG, VIS, NA, MPG | 18 (best 0.82) |
| 5L7I | Structure of human smoothened in complex with vismodegib | x-ray diffraction | A, B | NAG, VIS, NA, MPG | — |
| 5V56 | 2.9A xfel structure of the multi-domain human smoothened receptor (with E194M mutation) in complex… | x-ray diffraction | A, B | 836, FMN, NAG | 14 (best 0.82) |
| 5V57 | 3.0A syn structure of the multi-domain human smoothened receptor in complex with TC114 | x-ray diffraction | A, B | 836, FMN | — |
| 6OT0 | Structure of human Smoothened-Gi complex | electron microscopy | R | CO1 | — |
| 6OT0 | Structure of human smoothened-gi complex | electron microscopy | R | CO1 | — |
| 6XBJ | Structure of human smo-D384R complex with gi | electron microscopy | R | CLR | — |
| 6XBK | Structure of human smo-G111C/I496C complex with gi | electron microscopy | R | CLR | — |
| 6XBL | Structure of human SMO-Gi complex with SAG | electron microscopy | R | V0S, CLR | — |
| 6XBL | Structure of human smo-gi complex with sag | electron microscopy | R | V0S, CLR | — |
| 6XBM | Structure of human smo-gi complex with 24(S),25-ec | electron microscopy | R | CO1 | — |
| 7ZI0 | Structure of human smoothened in complex with cholesterol and sag | x-ray diffraction | A, B | V0S, CLR, NAG, NA, MPG | — |
| Q99835 | AlphaFold monomer V2.0 prediction for smoothened homolog (Q99835) | — | — | — |
Ligands
- CLR · Cholesterol · in 6 records
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 5 records
- NA · Sodium ion · in 4 records
- CO1 · 17-[3-(3,3-dimethyl-oxiranyl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol · in 3 records
- MPG · [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate · in 3 records
- V0S · 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide · in 3 records
- 836 · N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl) benzamide · in 2 records
- FMN · Flavin mononucleotide · in 2 records
- VIS · 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide · in 2 records
Experiment against prediction
- 5V56 chain B against the predicted model P00323: TM-score 0.23, RMSD 0.33 Å
- 5V57 chain B against the predicted model P00323: TM-score 0.23, RMSD 0.34 Å
- 5V56 chain A against the predicted model P00323: TM-score 0.23, RMSD 0.38 Å
- 5V57 chain A against the predicted model P00323: TM-score 0.23, RMSD 0.40 Å
- 4O9R chain A against the predicted model P0ABE7: TM-score 0.27, RMSD 2.20 Å
- 4O9R chain A against the predicted model P0ABE7: TM-score 0.27, RMSD 2.20 Å
- 4QIN chain A against the predicted model P0ABE7: TM-score 0.26, RMSD 2.57 Å
- 4QIN chain A against the predicted model P0ABE7: TM-score 0.26, RMSD 2.57 Å
- 7ZI0 chain B against the predicted model P0ABE7: TM-score 0.20, RMSD 2.21 Å
- 5L7D chain B against the predicted model P0ABE7: TM-score 0.20, RMSD 2.14 Å
Elsewhere
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