Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T47366 | Target Info | |||
| Target Name | Activin receptor type IIA (ACVR2A) | ||||
| Synonyms | Activin receptor type2A; Activin receptor type-2A; ACVR2; ACTRIIA; ACTR-IIA | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | ACVR2A | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Dorsomorphin | Ligand Info | |||||
| Structure Description | Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dorsomorphin | PDB:3Q4T | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [1] |
| PDB Sequence |
LGTENLYFQS
-1 MPLQLLEVKA199 RGRFGCVWKA209 QLLNEYVAVK219 IFPIQDKQSW229 QNEYEVYSLP 239 GMKHENILQF249 IGAEKRGTSV259 DVDLWLITAF269 HEKGSLSDFL279 KANVVSWNEL 289 CHIAETMARG299 LAYLHEDIPG309 LKDGHKPAIS319 HRDIKSKNVL329 LKNNLTACIA 339 DFGLALKFEA349 GKSAGDTHGQ359 VGTRRYMAPE369 VLEGAINFQR379 DAFLRIDMYA 389 MGLVLWELAS399 RCTAADGPVD409 EYMLPFEEEI419 GQHPSLEDMQ429 EVVVHKKKRP 439 VLRDYWQKHA449 GMAMLCETIE459 ECWDHDAEAR469 LSAGCVGERI479 TQMQR |
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| Ligand Name: [4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]quinazolin-2-Yl}imino)cyclohexa-2,5-Dien-1-Yl]acetonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with a quinazolin | PDB:3SOC | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [2] |
| PDB Sequence |
LGTENLYFQS
-1 MPLQLLEVKA199 RGRFGCVWKA209 QLLNEYVAVK219 IFPIQDKQSW229 QNEYEVYSLP 239 GMKHENILQF249 IGAEKRGTSV259 DVDLWLITAF269 HEKGSLSDFL279 KANVVSWNEL 289 CHIAETMARG299 LAYLHEDIPG309 LKDGHKPAIS319 HRDIKSKNVL329 LKNNLTACIA 339 DFGLALKFEA349 GKSAGDTHGQ359 VGTRRYMAPE369 VLEGAINFQR379 DAFLRIDMYA 389 MGLVLWELAS399 RCTAADGPVD409 EYMLPFEEEI419 GQHPSLEDMQ429 EVVVHKKKRP 439 VLRDYWQKHA449 GMAMLCETIE459 ECWDHDAEAR469 LSAGCVGERI479 TQMQRLT |
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LYS198
3.724
ALA199
3.869
ARG200
3.918
VAL206
3.484
ALA217
3.625
LYS219
3.509
LEU247
3.612
THR267
3.608
ALA268
3.112
PHE269
3.389
HIS270
3.078
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| Ligand Name: 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dihydro-Bauerine C | PDB:4ASX | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [3] |
| PDB Sequence |
SGVDLGTENL
-5 YFQSMPLQLL195 EVKARGRFGC205 VWKAQLLNEY215 VAVKIFPIQD225 KQSWQNEYEV 235 YSLPGMKHEN245 ILQFIGAEKR255 GTSVDVDLWL265 ITAFHEKGSL275 SDFLKANVVS 285 WNELCHIAET295 MARGLAYLHE305 DIPGLKDGHK315 PAISHRDIKS325 KNVLLKNNLT 335 ACIADFGLAL345 KFEAGKSAGT356 HGQVGTRRYM366 APEVLEGAIN376 FQRDAFLRID 386 MYAMGLVLWE396 LASRCTAADG406 PVDEYMLPFE416 EEIGQHPSLE426 DMQEVVVHKK 436 KRPVLRDYWQ446 KHAGMAMLCE456 TIEECWDHDA466 EARLSAGCVG476 ERITQMQRLT 486
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6OJ or .6OJ2 or .6OJ3 or :36OJ;style chemicals stick;color identity;select .A:198 or .A:199 or .A:200 or .A:201 or .A:206 or .A:217 or .A:219 or .A:232 or .A:247 or .A:267 or .A:268 or .A:269 or .A:270 or .A:273 or .A:274 or .A:326 or .A:327 or .A:329 or .A:339 or .A:340; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS198
4.015
ALA199
3.688
ARG200
4.748
GLY201
3.744
VAL206
3.770
ALA217
3.450
LYS219
3.291
GLU232
4.492
LEU247
3.235
THR267
3.651
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Small molecules dorsomorphin and LDN-193189 inhibit myostatin/GDF8 signaling and promote functional myoblast differentiation. J Biol Chem. 2015 Feb 6;290(6):3390-404. | ||||
| REF 2 | Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with a quinazolin | ||||
| REF 3 | Crystal Structure of Activin Receptor Type-Iia (Acvr2A) Kinase Domain in Complex with a Beta- Carboline Inhibitor | ||||
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