UniProt Q58F21
Bromodomain testis-specific protein (Q58F21)
Bromodomain testis-specific protein (UniProt Q58F21): 30 experimental structures and 1 predicted model on GenesisL1, 18 ligands bound, 20 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q58F21
- Protein
- Bromodomain testis-specific protein
- Experimental structures
- 30
- Predicted models
- 1
- Ligands
- 18
- Pockets
- 20 · 6 records with a druggable one
Structures
31 records of Q58F21 in the MolNFT archive: 30 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2RFJ | Crystal structure of the bromo domain 1 in human bromodomain containing protein, testis specific… | x-ray diffraction | A, B, C | — | — |
| 2RFJ | Crystal structure of the bromo domain 1 in human bromodomain containing protein, testis specific… | x-ray diffraction | A, B, C | — | — |
| 4FLP | Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor JQ1 | x-ray diffraction | A, B | — | — |
| 4FLP | Crystal structure of the first bromodomain of human brdt in complex with the inhibitor JQ1 | x-ray diffraction | A, B | — | — |
| 4KCX | BRDT in complex with Dinaciclib | x-ray diffraction | A, B | — | — |
| 4KCX | Brdt in complex with dinaciclib | x-ray diffraction | A, B | — | — |
| 5VBQ | Crystal structure of the first bromodomain of human brdt in complex with BI2536 | x-ray diffraction | A, B | R78, CL | 5 (best 0.74) |
| 5VBQ | Crystal structure of the first bromodomain of human brdt in complex with BI2536 | x-ray diffraction | A, B | R78, CL | — |
| 5VBR | Crystal structure of the first bromodomain of human brdt in complex with volasertib | x-ray diffraction | A, B | IBI, CL | — |
| 7BJY | Crystal structure of the first bromodomain (BD1) of human brdt bound to RO3280 | x-ray diffraction | A, B | 79C | — |
| 7L73 | Crystal structure of the first bromodomain (BD1) of human BRDT bound to ERK5-IN-1 | x-ray diffraction | A | VYJ | — |
| 7L73 | Crystal structure of the first bromodomain (BD1) of human brdt bound to ERK5-in-1 | x-ray diffraction | A | VYJ | — |
| 7L99 | Crystal structure of BRDT bromodomain 2 in complex with CDD-1302 | x-ray diffraction | A, B, C, D | XWJ, JEF | 4 (best 0.76) |
| 7L99 | Crystal structure of brdt bromodomain 2 in complex with cdd-1302 | x-ray diffraction | A, B, C, D | XWJ, JEF | — |
| 7L9A | Crystal structure of BRDT bromodomain 2 in complex with CDD-1102 | x-ray diffraction | A, B | XWP | 2 (best 0.65) |
| 7L9A | Crystal structure of brdt bromodomain 2 in complex with cdd-1102 | x-ray diffraction | A, B | XWP | — |
| 7LEJ | Crystal structure of the second bromodomain (BD2) of human BRDT bound to Volasertib | x-ray diffraction | A | IBI | 1 (best 0.55) |
| 7LEJ | Crystal structure of the second bromodomain (BD2) of human brdt bound to volasertib | x-ray diffraction | A | IBI | — |
| 7LEK | Crystal structure of the second bromodomain (BD2) of human brdt bound to ERK5-in-1 | x-ray diffraction | A, B, C, D | VYJ, CL | — |
| 7LEL | Crystal structure of the second bromodomain (BD2) of human brdt bound to bromosporine | x-ray diffraction | A, B, C, D | BMF | — |
| 7LEM | Crystal structure of the first bromodomain (BD1) of human brdt bound to LRRK2-in-1 | x-ray diffraction | A, B | 4K4 | — |
| 7MRC | Crystal structure of the first bromodomain (BD1) of human brdt bound to gxh-II-052 | x-ray diffraction | A, B | ZMS | — |
| 7MRD | Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-082 | x-ray diffraction | A, B | ZMV | 1 (best 0.73) |
| 7MRD | Crystal structure of the first bromodomain (BD1) of human brdt bound to gxh-II-082 | x-ray diffraction | A, B | ZMV | — |
| 7MRG | Crystal structure of the first bromodomain (BD1) of human brdt bound to nc-II-153 | x-ray diffraction | A, B | ZMM, CL | — |
| 7MRH | Crystal structure of the first bromodomain (BD1) of human brdt bound to nc-II-259 | x-ray diffraction | A, B | ZMJ | — |
| 7UBO | Crystal structure of the first bromodomain of human brdt in complex with the inhibitor ccd-956 | x-ray diffraction | A, B, C, D | MJN | — |
| 7UUU | First bromodomain of brdt liganded with compound 2C | x-ray diffraction | A | OFR | — |
| 8CZA | Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-IV-075 | x-ray diffraction | A, B, C, D, E, F | ZN1, NA | 7 (best 0.73) |
| 8CZA | Crystal structure of the first bromodomain (BD1) of human brdt bound to gxh-IV-075 | x-ray diffraction | A, B, C, D, E, F | ZN1, NA | — |
| Q58F21 | AlphaFold monomer V2.0 prediction for bromodomain testis-specific protein (Q58F21) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 5 records
- IBI · N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide · in 3 records
- VYJ · 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one · in 3 records
- JEF · O-(O-(2-aminopropyl)-O'-(2-methoxyethyl)polypropylene glycol 500) · in 2 records
- NA · Sodium ion · in 2 records
- R78 · 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide · in 2 records
- XWJ · N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide · in 2 records
- XWP · N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide · in 2 records
- ZMV · N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} · in 2 records
- ZN1 · 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl) amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl) carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7, 10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide · in 2 records
- 4K4 · 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one · in 1 record
- 79C · 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl) amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide · in 1 record
- BMF · Bromosporine · in 1 record
- MJN · N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide · in 1 record
- OFR · Prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2, 3-d]pyrimidine-6-carboxylate · in 1 record
- ZMJ · N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl) phenyl]ethanesulfonamide · in 1 record
- ZMM · 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one · in 1 record
- ZMS · N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} · in 1 record
Experiment against prediction
- 4FLP chain B against the predicted model Q58F21: TM-score 0.99, RMSD 0.41 Å
- 4FLP chain B against the predicted model Q58F21: TM-score 0.99, RMSD 0.41 Å
- 4FLP chain A against the predicted model Q58F21: TM-score 0.99, RMSD 0.39 Å
- 4FLP chain A against the predicted model Q58F21: TM-score 0.99, RMSD 0.39 Å
- 7BJY chain A against the predicted model Q58F21: TM-score 0.98, RMSD 0.52 Å
- 7LEM chain A against the predicted model Q58F21: TM-score 0.98, RMSD 0.53 Å
- 7MRH chain B against the predicted model Q58F21: TM-score 0.98, RMSD 0.75 Å
- 7MRG chain A against the predicted model Q58F21: TM-score 0.98, RMSD 0.75 Å
- 7MRH chain A against the predicted model Q58F21: TM-score 0.98, RMSD 0.77 Å
- 7LEM chain B against the predicted model Q58F21: TM-score 0.98, RMSD 0.59 Å
Elsewhere
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