UniProt P17752
Tryptophan 5-hydroxylase 1 (P17752)
Tryptophan 5-hydroxylase 1 (UniProt P17752), EC 1.14.16.4: 27 experimental structures and 1 predicted model on GenesisL1, 22 ligands bound, 57 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P17752
- Protein
- Tryptophan 5-hydroxylase 1
- EC
- 1.14.16.4
- Experimental structures
- 27
- Predicted models
- 1
- Ligands
- 22
- Pockets
- 57 · 28 records with a druggable one
Structures
28 records of P17752 in the MolNFT archive: 27 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1MLW | Crystal structure of human tryptophan hydroxylase with bound 7,8-dihydro-L-biopterin cofactor and… | x-ray diffraction | A | FE, HBI | 2 (best 0.72) |
| 1MLW | Crystal structure of human tryptophan hydroxylase with bound 7,8-dihydro-L-biopterin cofactor and… | x-ray diffraction | A | FE, HBI | 2 (best 0.72) |
| 3HF6 | Crystal structure of human tryptophan hydroxylase type 1 with bound LP-521834 and FE | x-ray diffraction | A | FE, LX0 | 3 (best 0.75) |
| 3HF6 | Crystal structure of human tryptophan hydroxylase type 1 with bound lp-521834 and fe | x-ray diffraction | A | FE, LX0 | 3 (best 0.75) |
| 3HF8 | Crystal structure of human tryoptophan hydroxylase type 1 with bound LP-533401 and Fe | x-ray diffraction | A | FE, ML0 | 2 (best 0.74) |
| 3HF8 | Crystal structure of human tryoptophan hydroxylase type 1 with bound lp-533401 and fe | x-ray diffraction | A | FE, ML0 | 2 (best 0.74) |
| 3HFB | Crystal structure of human tryoptophan hydroxylase type 1 with LP-534193 | x-ray diffraction | A | FE, ML4 | 2 (best 0.76) |
| 3HFB | Crystal structure of human tryoptophan hydroxylase type 1 with lp- 534193 | x-ray diffraction | A | FE, ML4 | 2 (best 0.76) |
| 5J6D | Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors | x-ray diffraction | A, B | FE, 6H5 | 5 (best 0.82) |
| 5J6D | Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors | x-ray diffraction | A, B | FE, 6H5 | 5 (best 0.82) |
| 5L01 | Tryptophan 5-hydroxylase in complex with inhibitor (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-p… | x-ray diffraction | A | FE, 6Z4 | 2 (best 0.76) |
| 5L01 | Tryptophan 5-hydroxylase in complex with inhibitor (3~{S})-8-[2… | x-ray diffraction | A | FE, 6Z4 | 2 (best 0.76) |
| 5TPG | Optimization of spirocyclic proline tryptophanhydroxylase-1 inhibitors | x-ray diffraction | A | FE, CCN, 7H5 | 2 (best 0.75) |
| 5TPG | Optimization of spirocyclic proline tryptophanhydroxylase-1 inhibitors | x-ray diffraction | A | FE, CCN, 7H5 | 2 (best 0.75) |
| 7ZIF | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-480 | x-ray diffraction | A | FE, IWA | 1 (best 0.77) |
| 7ZIG | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-060 | x-ray diffraction | A | IVZ, FE | 1 (best 0.74) |
| 7ZIH | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor AG-01-128 | x-ray diffraction | A | FE, JCR | 1 (best 0.73) |
| 7ZII | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-193 | x-ray diffraction | A | FE, IVQ | 1 (best 0.73) |
| 7ZIJ | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-080 | x-ray diffraction | A | IVW, FE | 1 (best 0.72) |
| 7ZIK | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor LP778902 | x-ray diffraction | A, B | FE, IVN | 3 (best 0.74) |
| 8CJI | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052 | x-ray diffraction | A | FE, UWC | 1 (best 0.74) |
| 8CJJ | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-057 | x-ray diffraction | A | FE, UVF | 1 (best 0.74) |
| 8CJK | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098 | x-ray diffraction | A | FE, UVU | 1 (best 0.76) |
| 8CJL | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor TPT-004 | x-ray diffraction | A | FE, UXC | 1 (best 0.73) |
| 8CJM | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-047 | x-ray diffraction | A | FE, UXL | 1 (best 0.76) |
| 8CJN | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-070 | x-ray diffraction | A | FE, UX3 | 1 (best 0.74) |
| 8CJO | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-004 | x-ray diffraction | A | FE, UWL | 2 (best 0.70) |
| P17752 | AlphaFold monomer V2.0 prediction for tryptophan 5-hydroxylase 1 (P17752) | predicted | A | — | 5 (best 0.79) |
Ligands
- FE · Fe (III) ion · in 27 records
- 6H5 · 4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine · in 2 records
- 6Z4 · (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid · in 2 records
- 7H5 · (3S)-8-(2-amino-6-{(1R)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid · in 2 records
- CCN · Acetonitrile · in 2 records
- HBI · 7,8-dihydrobiopterin · in 2 records
- LX0 · 4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine · in 2 records
- ML0 · 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine · in 2 records
- ML4 · 4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine · in 2 records
- IVN · (2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid · in 1 record
- IVQ · 8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione · in 1 record
- IVW · 8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione · in 1 record
- IVZ · (2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid · in 1 record
- IWA · (2R)-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3H-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid · in 1 record
- JCR · 8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione · in 1 record
- UVF · 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione · in 1 record
- UVU · 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione · in 1 record
- UWC · methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate · in 1 record
- UWL · 1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone · in 1 record
- UX3 · 3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione · in 1 record
- UXC · 3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione · in 1 record
- UXL · 7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione · in 1 record
Experiment against prediction
- 7ZIG chain A against the predicted model P17752: TM-score 0.99, RMSD 0.46 Å
- 8CJM chain A against the predicted model P17752: TM-score 0.99, RMSD 0.48 Å
- 7ZII chain A against the predicted model P17752: TM-score 0.99, RMSD 0.51 Å
- 7ZIH chain A against the predicted model P17752: TM-score 0.99, RMSD 0.51 Å
- 8CJL chain A against the predicted model P17752: TM-score 0.99, RMSD 0.53 Å
- 7ZIJ chain A against the predicted model P17752: TM-score 0.99, RMSD 0.53 Å
- 7ZIK chain A against the predicted model P17752: TM-score 0.99, RMSD 0.52 Å
- 5TPG chain A against the predicted model P17752: TM-score 0.99, RMSD 0.54 Å
- 5TPG chain A against the predicted model P17752: TM-score 0.99, RMSD 0.54 Å
- 3HF8 chain A against the predicted model P17752: TM-score 0.99, RMSD 0.56 Å
Elsewhere
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