Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12091 | Target Info | |||
| Target Name | Activin receptor-like kinase 2 (ALK-2) | ||||
| Synonyms | TSR-I; TGF-B superfamily receptor type I; Serine/threonine-protein kinase receptor R1; SKR1; Activin receptor type-1; Activin receptor type I; ACVRLK2; ACTR-I | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | ACVR1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 4-Methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine | Ligand Info | |||
| Canonical SMILES | CC1=C(C=NC=C1C2=CC=C(C=C2)C3CCN(CC3)C)C4=CC(=C(C(=C4)OC)OC)OC | ||||
| InChI | 1S/C27H32N2O3/c1-18-23(21-8-6-19(7-9-21)20-10-12-29(2)13-11-20)16-28-17-24(18)22-14-25(30-3)27(32-5)26(15-22)31-4/h6-9,14-17,20H,10-13H2,1-5H3 | ||||
| InChIKey | CNEAZWBYXISKKK-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 139030515 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6SRH Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [1] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSSTQLW280 LITHYHEMGS290 LYDYLQLTTL300 DTVSCLRIVL 310 SIASGLAHLH320 IEIFGTQGKP330 AIAHRDLKSK340 NILVKKNGQC350 CIADLGLAVM 360 HSPRVGTKRY381 MAPEVLDETI391 QVDCFDSYKR401 VDIWAFGLVL411 WEVARRMVSN 421 GIVEDYKPPF431 YDVVPNDPSF441 EDMRKVVCVD451 QQRPNIPNRW461 FSDPTLTSLA 471 KLMKECWYQN481 PSARLTALRI491 KKTLTKID
|
|||||
|
|
GLU212
3.246
CYS213
4.962
VAL214
2.322
GLY215
4.478
VAL222
2.165
TRP223
4.978
ARG224
4.637
ALA233
2.252
VAL234
3.388
LYS235
2.592
PHE237
4.675
GLU248
3.977
LEU263
2.685
LEU281
2.276
ILE282
3.549
THR283
2.284
|
|||||
| PDB ID: 5S75 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
|
ARG202
3.825
THR203
4.593
VAL204
3.523
ALA205
3.409
ARG206
3.006
ILE208
4.296
GLU212
3.639
VAL214
3.695
VAL222
3.748
TRP227
3.668
ALA233
3.605
VAL234
4.109
LYS235
3.509
GLU248
4.413
LEU263
3.928
ILE266
3.671
ALA267
3.572
SER268
4.938
|
|||||
| PDB ID: 5S78 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [3] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHSP 374 RVGTKRYMAP384 EVLDETIQVD394 CFDSYKRVDI404 WAFGLVLWEV414 ARRMVSNGIV 424 EDYKPPFYDV434 VPNDPSFEDM444 RKVVCVDQQR454 PNIPNRWFSD464 PTLTSLAKLM 474 KECWYQNPSA484 RLTALRIKKT494 LTKID
|
|||||
|
|
THR203
4.798
VAL204
3.427
ALA205
3.382
ARG206
2.892
ILE208
3.914
GLU212
3.941
VAL214
3.644
VAL222
3.757
TRP227
3.501
ALA233
3.594
VAL234
4.090
LYS235
3.516
GLU248
4.388
LEU263
4.002
ILE266
3.681
ALA267
3.752
SER268
4.873
|
|||||
| PDB ID: 5S7A XChem group deposition -- Crystal Structure of human ACVR1 in complex with PK012456b | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [4] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSSTQLW280 LITHYHEMGS290 LYDYLQLTTL300 DTVSCLRIVL 310 SIASGLAHLH320 IEIFGGKPAI332 AHRDLKSKNI342 LVKKNGQCCI352 ADLGLAVMHS 362 RVGTKRYMAP384 EVLDETIQVD394 CFDSYKRVDI404 WAFGLVLWEV414 ARRMVSNGIV 424 EDYKPPFYDV434 VPNDPSFEDM444 RKVVCVDQQR454 PNIPNRWFSD464 PTLTSLAKLM 474 KECWYQNPSA484 RLTALRIKKT494 LTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.684
THR203
4.673
VAL204
3.495
ALA205
3.386
ARG206
2.998
ILE208
4.131
GLU212
4.084
VAL214
3.657
VAL222
3.693
TRP227
3.647
ALA233
3.557
VAL234
4.075
LYS235
3.486
GLU248
4.517
LEU263
3.982
ILE266
3.665
ALA267
3.534
SER268
4.896
|
|||||
| PDB ID: 5S7H XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010914a | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [5] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHSR 375 VGTKRYMAPE385 VLDETIQVDC395 FDSYKRVDIW405 AFGLVLWEVA415 RRMVSNGIVE 425 DYKPPFYDVV435 PNDPSFEDMR445 KVVCVDQQRP455 NIPNRWFSDP465 TLTSLAKLMK 475 ECWYQNPSAR485 LTALRIKKTL495 TKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.647
THR203
4.706
VAL204
3.597
ALA205
3.298
ARG206
3.023
ILE208
4.162
VAL214
3.660
VAL222
3.771
TRP227
3.582
VAL232
4.983
ALA233
3.614
VAL234
4.125
LYS235
3.522
GLU248
4.565
LEU263
3.980
ILE266
3.640
ALA267
3.565
SER268
4.978
|
|||||
| PDB ID: 5S7I XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010928a | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [6] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSSTQLW280 LITHYHEMGS290 LYDYLQLTTL300 DTVSCLRIVL 310 SIASGLAHLH320 IEIFGGKPAI332 AHRDLKSKNI342 LVKKNGQCCI352 ADLGLAVMHR 375 VGTKRYMAPE385 VLDETIQVDC395 FDSYKRVDIW405 AFGLVLWEVA415 RRMVSNGIVE 425 DYKPPFYDVV435 PNDPSFEDMR445 KVVCVDQQRP455 NIPNRWFSDP465 TLTSLAKLMK 475 ECWYQNPSAR485 LTALRIKKTL495 TKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.698
THR203
4.593
VAL204
3.560
ALA205
3.304
ARG206
3.122
ILE208
4.474
VAL214
3.625
VAL222
3.769
TRP227
3.617
ALA233
3.576
VAL234
4.119
LYS235
3.516
GLU248
4.427
LEU263
3.917
ILE266
3.699
ALA267
3.531
SER268
4.994
|
|||||
| PDB ID: 5S7N XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [7] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSSTQLW280 LITHYHEMGS290 LYDYLQLTTL300 DTVSCLRIVL 310 SIASGLAHLH320 IEIFGTQGKP330 AIAHRDLKSK340 NILVKKNGQC350 CIADLGLAVM 360 HRVGTKRYMA383 PEVLDETIQV393 DCFDSYKRVD403 IWAFGLVLWE413 VARRMVSNGI 423 VEDYKPPFYD433 VVPNDPSFED443 MRKVVCVDQQ453 RPNIPNRWFS463 DPTLTSLAKL 473 MKECWYQNPS483 ARLTALRIKK493 TLTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:230 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR203
4.497
VAL204
3.458
ALA205
3.376
ARG206
2.885
ILE208
4.167
GLU212
4.918
VAL214
3.645
VAL222
3.624
TRP227
3.545
GLU230
4.563
VAL232
4.874
ALA233
3.589
VAL234
4.101
LYS235
3.495
GLU248
4.490
LEU263
3.969
ILE266
3.625
ALA267
3.559
|
|||||
| PDB ID: 5S7S XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010921a | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [8] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHSQ 363 NPRVGTKRYM382 APEVLDETIQ392 VDCFDSYKRV402 DIWAFGLVLW412 EVARRMVSNG 422 IVEDYKPPFY432 DVVPNDPSFE442 DMRKVVCVDQ452 QRPNIPNRWF462 SDPTLTSLAK 472 LMKECWYQNP482 SARLTALRIK492 KTLTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.694
THR203
4.609
VAL204
3.571
ALA205
3.364
ARG206
3.039
ILE208
4.470
VAL214
3.679
VAL222
3.801
TRP227
3.615
ALA233
3.613
VAL234
4.148
LYS235
3.522
GLU248
4.347
LEU263
3.923
ILE266
3.629
ALA267
3.560
SER268
4.981
|
|||||
| PDB ID: 5S7T XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010926a | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [9] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHSR 375 VGTKRYMAPE385 VLDETIQVDC395 FDSYKRVDIW405 AFGLVLWEVA415 RRMVSNGIVE 425 DYKPPFYDVV435 PNDPSFEDMR445 KVVCVDQQRP455 NIPNRWFSDP465 TLTSLAKLMK 475 ECWYQNPSAR485 LTALRIKKTL495 TKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.462
THR203
4.589
VAL204
3.511
ALA205
3.378
ARG206
3.056
ILE208
4.397
GLU212
4.520
VAL214
3.624
VAL222
3.655
TRP227
3.471
VAL232
4.979
ALA233
3.564
VAL234
4.215
LYS235
3.561
GLU248
4.391
LEU263
3.870
ILE266
3.618
ALA267
3.699
|
|||||
| PDB ID: 5S7X XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000376d | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [10] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.738
THR203
4.629
VAL204
3.619
ALA205
3.441
ARG206
3.166
ILE208
3.944
GLU212
4.920
VAL214
3.667
VAL222
3.715
TRP227
3.582
ALA233
3.622
VAL234
4.116
LYS235
3.500
GLU248
4.418
LEU263
3.923
ILE266
3.691
ALA267
3.607
SER268
4.982
|
|||||
| PDB ID: 5S7Z XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074488b | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [11] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHSQ 363 NPRVGTKRYM382 APEVLDETIQ392 VDCFDSYKRV402 DIWAFGLVLW412 EVARRMVSNG 422 IVEDYKPPFY432 DVVPNDPSFE442 DMRKVVCVDQ452 QRPNIPNRWF462 SDPTLTSLAK 472 LMKECWYQNP482 SARLTALRIK492 KTLTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.686
THR203
4.525
VAL204
3.395
ALA205
3.415
ARG206
3.011
ILE208
4.448
VAL214
3.647
VAL222
3.775
TRP227
3.576
ALA233
3.564
VAL234
4.058
LYS235
3.469
GLU248
4.292
LEU263
3.927
ILE266
3.603
ALA267
3.602
ASP269
4.233
|
|||||
| PDB ID: 5S87 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010953a | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [12] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSSTQLW280 LITHYHEMGS290 LYDYLQLTTL300 DTVSCLRIVL 310 SIASGLAHLH320 IEIFGGKPAI332 AHRDLKSKNI342 LVKKNGQCCI352 ADLGLAVMHR 375 VGTKRYMAPE385 VLDETIQVDC395 FDSYKRVDIW405 AFGLVLWEVA415 RRMVSNGIVE 425 DYKPPFYDVV435 PNDPSFEDMR445 KVVCVDQQRP455 NIPNRWFSDP465 TLTSLAKLMK 475 ECWYQNPSAR485 LTALRIKKTL495 TKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.625
THR203
4.645
VAL204
3.465
ALA205
3.337
ARG206
3.092
ILE208
4.355
VAL214
3.538
VAL222
3.711
TRP227
3.515
VAL232
4.919
ALA233
3.572
VAL234
4.076
LYS235
3.469
GLU248
4.621
LEU263
4.052
ILE266
3.602
ALA267
3.593
|
|||||
| PDB ID: 5S89 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010957a | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [13] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.656
THR203
4.693
VAL204
3.569
ALA205
3.346
ARG206
3.080
ILE208
4.326
VAL214
3.549
VAL222
3.740
TRP227
3.580
VAL232
4.955
ALA233
3.620
VAL234
4.149
LYS235
3.544
GLU248
4.610
LEU263
3.945
ILE266
3.638
ALA267
3.583
SER268
4.975
|
|||||
| PDB ID: 5S8A XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074484b | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [14] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.688
THR203
4.726
VAL204
3.419
ALA205
3.346
ARG206
3.021
ILE208
4.522
GLU212
3.681
VAL214
3.593
VAL222
3.773
TRP227
3.456
ALA233
3.602
VAL234
4.095
LYS235
3.472
GLU248
4.525
LEU263
3.960
ILE266
3.625
ALA267
3.518
SER268
4.966
|
|||||
| PDB ID: 5S76 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010916a | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [15] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.664
THR203
4.533
VAL204
3.514
ALA205
3.374
ARG206
3.080
ILE208
4.421
GLU212
4.568
VAL214
3.512
VAL222
3.700
TRP227
3.552
ALA233
3.637
VAL234
4.130
LYS235
3.533
GLU248
4.451
LEU263
3.916
ILE266
3.641
ALA267
3.554
SER268
4.877
|
|||||
| PDB ID: 5S77 XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [16] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.696
THR203
4.617
VAL204
3.480
ALA205
3.454
ARG206
2.888
ILE208
4.136
GLU212
4.470
VAL214
3.606
VAL222
3.755
TRP227
3.520
ALA233
3.612
VAL234
4.085
LYS235
3.500
GLU248
4.391
LEU263
3.943
ILE266
3.652
ALA267
3.652
SER268
4.971
|
|||||
| PDB ID: 5S7C XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000274c | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [17] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR203
4.792
VAL204
3.492
ALA205
3.485
ARG206
2.961
ILE208
3.975
GLU212
4.011
VAL214
3.597
VAL222
3.679
TRP227
3.323
ALA233
3.582
VAL234
4.098
LYS235
3.522
GLU248
4.472
LEU263
3.907
ILE266
3.678
ALA267
3.702
SER268
4.804
|
|||||
| PDB ID: 5S7D XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010923a | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [18] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHSR 375 VGTKRYMAPE385 VLDETIQVDC395 FDSYKRVDIW405 AFGLVLWEVA415 RRMVSNGIVE 425 DYKPPFYDVV435 PNDPSFEDMR445 KVVCVDQQRP455 NIPNRWFSDP465 TLTSLAKLMK 475 ECWYQNPSAR485 LTALRIKKTL495 TKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.660
THR203
4.667
VAL204
3.493
ALA205
3.291
ARG206
3.102
ILE208
4.507
GLU212
3.938
VAL214
3.617
VAL222
3.669
TRP227
3.655
ALA233
3.579
VAL234
4.075
LYS235
3.444
GLU248
4.490
LEU263
4.085
ILE266
3.674
ALA267
3.563
SER268
4.900
|
|||||
| PDB ID: 5S7F XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010935a | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [19] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.790
THR203
4.685
VAL204
3.535
ALA205
3.415
ARG206
2.901
ILE208
4.378
GLU212
3.740
VAL214
3.499
VAL222
3.691
TRP227
3.514
ALA233
3.600
VAL234
4.048
LYS235
3.448
GLU248
4.451
LEU263
4.020
ILE266
3.682
ALA267
3.660
SER268
4.956
|
|||||
| PDB ID: 5S7J XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000893d | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [20] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSSTQLW280 LITHYHEMGS290 LYDYLQLTTL300 DTVSCLRIVL 310 SIASGLAHLH320 IEIFGGKPAI332 AHRDLKSKNI342 LVKKNGQCCI352 ADLGLAVMHS 362 PRVGTKRYMA383 PEVLDETIQV393 DCFDSYKRVD403 IWAFGLVLWE413 VARRMVSNGI 423 VEDYKPPFYD433 VVPNDPSFED443 MRKVVCVDQQ453 RPNIPNRWFS463 DPTLTSLAKL 473 MKECWYQNPS483 ARLTALRIKK493 TLTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.160
THR203
4.575
VAL204
3.463
ALA205
3.379
ARG206
2.972
ILE208
4.085
GLU212
3.689
VAL214
3.647
VAL222
3.637
TRP227
3.553
VAL232
4.900
ALA233
3.616
VAL234
4.086
LYS235
3.471
GLU248
4.442
LEU263
3.915
ILE266
3.664
ALA267
3.586
|
|||||
| PDB ID: 5S7K XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010936a | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | No | [21] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHSQ 363 RVGTKRYMAP384 EVLDETIQVD394 CFDSYKRVDI404 WAFGLVLWEV414 ARRMVSNGIV 424 EDYKPPFYDV434 VPNDPSFEDM444 RKVVCVDQQR454 PNIPNRWFSD464 PTLTSLAKLM 474 KECWYQNPSA484 RLTALRIKKT494 LTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.377
THR203
4.690
VAL204
3.544
ALA205
3.347
ARG206
3.112
ILE208
4.156
VAL214
3.529
VAL222
3.703
TRP227
3.531
ALA233
3.533
VAL234
4.058
LYS235
3.423
GLU248
4.562
LEU263
4.050
ILE266
3.673
ALA267
3.541
ASP269
4.180
|
|||||
| PDB ID: 5S7P XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010937a | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [22] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.759
THR203
4.737
VAL204
3.530
ALA205
3.443
ARG206
3.004
ILE208
4.172
GLU212
4.541
VAL214
3.601
VAL222
3.771
TRP227
3.652
ALA233
3.592
VAL234
4.065
LYS235
3.509
GLU248
4.438
LEU263
3.959
ILE266
3.680
ALA267
3.686
SER268
4.983
|
|||||
| PDB ID: 5S7V XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010942a | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [23] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRSTQLWLIT283 HYHEMGSLYD293 YLQLTTLDTV303 SCLRIVLSIA 313 SGLAHLHIEI323 FGGKPAIAHR335 DLKSKNILVK345 KNGQCCIADL355 GLAVMHSRVG 377 TKRYMAPEVL387 DETIQVDCFD397 SYKRVDIWAF407 GLVLWEVARR417 MVSNGIVEDY 427 KPPFYDVVPN437 DPSFEDMRKV447 VCVDQQRPNI457 PNRWFSDPTL467 TSLAKLMKEC 477 WYQNPSARLT487 ALRIKKTLTK497 ID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.732
THR203
4.591
VAL204
3.527
ALA205
3.276
ARG206
3.035
ILE208
4.376
VAL214
3.737
VAL222
3.710
TRP227
3.587
ALA233
3.625
VAL234
4.056
LYS235
3.454
GLU248
4.318
LEU263
3.919
ILE266
3.681
ALA267
3.580
SER268
4.752
|
|||||
| PDB ID: 5S86 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010952a | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [24] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.602
THR203
4.656
VAL204
3.510
ALA205
3.343
ARG206
3.079
ILE208
3.927
VAL214
3.654
VAL222
3.822
TRP227
3.558
VAL232
4.993
ALA233
3.546
VAL234
4.105
LYS235
3.475
GLU248
4.579
LEU263
4.058
ILE266
3.643
ALA267
3.672
SER268
4.951
|
|||||
| PDB ID: 5S88 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010954a | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [25] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.560
THR203
4.669
VAL204
3.511
ALA205
3.327
ARG206
3.118
ILE208
4.301
VAL214
3.545
VAL222
3.751
TRP227
3.539
ALA233
3.559
VAL234
4.120
LYS235
3.498
GLU248
4.554
LEU263
3.933
ILE266
3.592
ALA267
3.593
SER268
4.875
|
|||||
| PDB ID: 5S7B XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000329d | ||||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | Yes | [26] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSTQLWLI282 THYHEMGSLY292 DYLQLTTLDT302 VSCLRIVLSI 312 ASGLAHLHIE322 IFGGKPAIAH334 RDLKSKNILV344 KKNGQCCIAD354 LGLAVMHNNP 374 RVGTKRYMAP384 EVLDETIQVD394 CFDSYKRVDI404 WAFGLVLWEV414 ARRMVSNGIV 424 EDYKPPFYDV434 VPNDPSFEDM444 RKVVCVDQQR454 PNIPNRWFSD464 PTLTSLAKLM 474 KECWYQNPSA484 RLTALRIKKT494 LTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR203
4.606
VAL204
3.429
ALA205
3.424
ARG206
3.014
ILE208
4.571
VAL214
3.620
VAL222
3.822
TRP227
3.550
ALA233
3.523
VAL234
4.110
LYS235
3.535
GLU248
4.349
LEU263
3.928
ILE266
3.706
ALA267
4.643
ASP269
3.962
|
|||||
| PDB ID: 5S7E XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a | ||||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | Yes | [27] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.606
THR203
4.518
VAL204
3.397
ALA205
3.416
ARG206
3.001
ILE208
4.303
GLU212
4.925
VAL214
3.554
VAL222
3.712
TRP227
3.622
VAL232
4.981
ALA233
3.538
VAL234
4.059
LYS235
3.426
GLU248
4.353
LEU263
4.008
ILE266
3.629
ALA267
3.820
|
|||||
| PDB ID: 5S7M XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000275d | ||||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | Yes | [28] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SSTQLWLITH284 YHEMGSLYDY294 LQLTTLDTVS304 CLRIVLSIAS 314 GLAHLHIEIF324 GTQGKPAIAH334 RDLKSKNILV344 KKNGQCCIAD354 LGLAVMHNNP 374 RVGTKRYMAP384 EVLDETIQVD394 CFDSYKRVDI404 WAFGLVLWEV414 ARRMVSNGIV 424 EDYKPPFYDV434 VPNDPSFEDM444 RKVVCVDQQR454 PNIPNRWFSD464 PTLTSLAKLM 474 KECWYQNPSA484 RLTALRIKKT494 LTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:212 or .A:214 or .A:222 or .A:227 or .A:228 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU212
4.731
VAL214
3.577
VAL222
3.882
TRP227
4.865
GLN228
4.905
VAL232
4.785
ALA233
3.485
VAL234
4.113
LYS235
3.543
GLU248
4.261
LEU263
4.034
ILE266
3.621
LEU281
3.487
ILE282
4.772
|
|||||
| PDB ID: 5S7W XChem group deposition -- Crystal Structure of human ACVR1 in complex with HM000007h | ||||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | Yes | [29] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGTGKPAI332 AHRDLKSKNI342 LVKKNGQCCI352 ADLGLAVMHR 375 VGTKRYMAPE385 VLDETIQVDC395 FDSYKRVDIW405 AFGLVLWEVA415 RRMVSNGIVE 425 DYKPPFYDVV435 PNDPSFEDMR445 KVVCVDQQRP455 NIPNRWFSDP465 TLTSLAKLMK 475 ECWYQNPSAR485 LTALRIKKTL495 TKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.422
THR203
4.590
VAL204
3.608
ALA205
3.364
ARG206
3.083
ILE208
4.220
VAL214
3.614
VAL222
3.714
TRP227
3.593
VAL232
4.990
ALA233
3.586
VAL234
4.144
LYS235
3.528
GLU248
4.359
LEU263
4.008
ILE266
3.651
ALA267
3.535
SER268
4.923
|
|||||
| PDB ID: 5S83 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010948a | ||||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | Yes | [30] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.657
THR203
4.612
VAL204
3.537
ALA205
3.380
ARG206
3.035
ILE208
4.570
GLU212
4.544
VAL214
3.715
VAL222
3.765
TRP227
3.578
ALA233
3.550
VAL234
4.149
LYS235
3.497
GLU248
3.956
LEU263
3.883
ILE266
3.655
ALA267
3.582
SER268
4.893
|
|||||
| PDB ID: 5S85 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000884c | ||||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | Yes | [31] |
| PDB Sequence |
RTVARDITLL
211 CVGKGRYGEV222 WRGSWQGENV232 AVKIFSSRDE242 KSWFRETELY252 NTVMLRHENI 262 LGFIASDMTS272 RHSSTQLWLI282 THYHEMGSLY292 DYLQLTTLDT302 VSCLRIVLSI 312 ASGLAHLHIE322 IFGGKPAIAH334 RDLKSKNILV344 KKNGQCCIAD354 LGLAVMHRVG 377 TKRYMAPEVL387 DETIQVDCFD397 SYKRVDIWAF407 GLVLWEVARR417 MVSNGIVEDY 427 KPPFYDVVPN437 DPSFEDMRKV447 VCVDQQRPNI457 PNRWFSDPTL467 TSLAKLMKEC 477 WYQNPSARLT487 ALRIKKTLTK497 ID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR203
4.769
VAL204
3.321
ALA205
3.418
ARG206
3.094
ILE208
4.435
VAL214
3.598
VAL222
3.840
TRP227
3.651
ALA233
3.572
VAL234
4.108
LYS235
3.526
GLU248
4.392
LEU263
3.966
ILE266
3.685
ALA267
3.589
ASP269
4.272
|
|||||
| PDB ID: 5S84 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010949a | ||||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [32] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSSTQLW280 LITHYHEMGS290 LYDYLQLTTL300 DTVSCLRIVL 310 SIASGLAHLH320 IEIFGGKPAI332 AHRDLKSKNI342 LVKKNGQCCI352 ADLGLAVMHR 375 VGTKRYMAPE385 VLDETIQVDC395 FDSYKRVDIW405 AFGLVLWEVA415 RRMVSNGIVE 425 DYKPPFYDVV435 PNDPSFEDMR445 KVVCVDQQRP455 NIPNRWFSDP465 TLTSLAKLMK 475 ECWYQNPSAR485 LTALRIKKTL495 TKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:230 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.308
THR203
4.637
VAL204
3.372
ALA205
3.342
ARG206
2.887
ILE208
4.226
VAL214
3.549
VAL222
3.821
TRP227
3.468
GLU230
3.541
VAL232
4.841
ALA233
3.572
VAL234
4.095
LYS235
3.493
GLU248
4.360
LEU263
3.963
ILE266
3.688
ALA267
3.693
|
|||||
| PDB ID: 5S9K XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010955a | ||||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [33] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSSTQLWLIT283 HYHEMGSLYD293 YLQLTTLDTV303 SCLRIVLSIA 313 SGLAHLHIEI323 FGGKPAIAHR335 DLKSKNILVK345 KNGQCCIADL355 GLAVMHRVGT 378 KRYMAPEVLD388 ETIQVDCFDS398 YKRVDIWAFG408 LVLWEVARRM418 VSNGIVEDYK 428 PPFYDVVPND438 PSFEDMRKVV448 CVDQQRPNIP458 NRWFSDPTLT468 SLAKLMKECW 478 YQNPSARLTA488 LRIKKTLTKI498 D
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.547
THR203
4.649
VAL204
3.514
ALA205
3.467
ARG206
2.980
ILE208
3.991
VAL214
3.659
VAL222
3.841
TRP227
3.597
VAL232
4.853
ALA233
3.581
VAL234
4.113
LYS235
3.461
GLU248
4.601
LEU263
4.049
ILE266
3.597
ALA267
3.658
SER268
4.949
|
|||||
| PDB ID: 5S7L XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010943a | ||||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | Yes | [34] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSSTQLW280 LITHYHEMGS290 LYDYLQLTTL300 DTVSCLRIVL 310 SIASGLAHLH320 IEIFGGKPAI332 AHRDLKSKNI342 LVKKNGQCCI352 ADLGLAVMHN 373 PRVGTKRYMA383 PEVLDETIQV393 DCFDSYKRVD403 IWAFGLVLWE413 VARRMVSNGI 423 VEDYKPPFYD433 VVPNDPSFED443 MRKVVCVDQQ453 RPNIPNRWFS463 DPTLTSLAKL 473 MKECWYQNPS483 ARLTALRIKK493 TLTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.843
THR203
4.542
VAL204
3.484
ALA205
3.392
ARG206
2.903
ILE208
4.134
GLU212
3.262
VAL214
3.720
VAL222
3.767
TRP227
3.158
ALA233
3.523
VAL234
4.131
LYS235
3.453
GLU248
4.232
LEU263
4.000
ILE266
3.627
ALA267
3.732
SER268
4.891
|
|||||
| PDB ID: 5S7Y XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a | ||||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | Yes | [35] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.667
THR203
4.871
VAL204
3.423
ALA205
3.437
ARG206
2.993
ILE208
4.087
GLU212
4.902
VAL214
3.656
VAL222
3.578
TRP227
3.494
ALA233
3.594
VAL234
4.042
LYS235
3.454
GLU248
4.508
LEU263
4.007
ILE266
3.658
ALA267
3.703
SER268
4.876
|
|||||
| PDB ID: 5S7O XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c | ||||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | Yes | [36] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSSTQLW280 LITHYHEMGS290 LYDYLQLTTL300 DTVSCLRIVL 310 SIASGLAHLH320 IEIFGQGKPA331 IAHRDLKSKN341 ILVKKNGQCC351 IADLGLAVMH 361 SPRVGTKRYM382 APEVLDETIQ392 VDCFDSYKRV402 DIWAFGLVLW412 EVARRMVSNG 422 IVEDYKPPFY432 DVVPNDPSFE442 DMRKVVCVDQ452 QRPNIPNRWF462 SDPTLTSLAK 472 LMKECWYQNP482 SARLTALRIK492 KTLTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.307
THR203
4.465
VAL204
3.516
ALA205
3.336
ARG206
2.971
ILE208
3.857
GLU212
4.769
VAL214
3.634
VAL222
3.696
TRP227
3.407
VAL232
4.819
ALA233
3.546
VAL234
4.028
LYS235
3.385
GLU248
4.364
LEU263
4.045
ILE266
3.658
ALA267
3.668
|
|||||
| PDB ID: 5S81 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010947a | ||||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | Yes | [37] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.727
THR203
4.626
VAL204
3.630
ALA205
3.434
ARG206
2.836
ILE208
3.921
GLU212
4.571
VAL214
3.677
VAL222
3.720
TRP227
3.487
ALA233
3.556
VAL234
4.077
LYS235
3.488
GLU248
4.511
LEU263
3.914
ILE266
3.658
ALA267
3.512
SER268
4.895
|
|||||
| PDB ID: 5S7R XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010918a | ||||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | Yes | [38] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR203
4.631
VAL204
3.568
ALA205
3.398
ARG206
2.961
ILE208
4.263
VAL214
3.606
VAL222
3.768
TRP227
3.534
ALA233
3.607
VAL234
4.107
LYS235
3.491
GLU248
4.354
LEU263
4.001
ILE266
3.697
ALA267
3.548
SER268
4.990
ASP269
4.314
|
|||||
| PDB ID: 5S79 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010910a | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [39] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHSR 375 VGTKRYMAPE385 VLDETIQVDC395 FDSYKRVDIW405 AFGLVLWEVA415 RRMVSNGIVE 425 DYKPPFYDVV435 PNDPSFEDMR445 KVVCVDQQRP455 NIPNRWFSDP465 TLTSLAKLMK 475 ECWYQNPSAR485 LTALRIKKTL495 TKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:230 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR203
4.997
VAL204
3.436
ALA205
3.407
ARG206
3.525
ILE208
4.436
GLU212
4.828
VAL214
3.611
VAL222
3.830
TRP227
3.499
GLU230
4.079
ALA233
3.537
VAL234
4.075
LYS235
3.457
GLU248
4.340
LEU263
3.933
ILE266
3.680
ALA267
4.217
|
|||||
| PDB ID: 5S7Q XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010944a | ||||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | Yes | [40] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSTQLWLI282 THYHEMGSLY292 DYLQLTTLDT302 VSCLRIVLSI 312 ASGLAHLHIE322 IFGGKPAIAH334 RDLKSKNILV344 KKNGQCCIAD354 LGLAVMHRVG 377 TKRYMAPEVL387 DETIQVDCFD397 SYKRVDIWAF407 GLVLWEVARR417 MVSNGIVEDY 427 KPPFYDVVPN437 DPSFEDMRKV447 VCVDQQRPNI457 PNRWFSDPTL467 TSLAKLMKEC 477 WYQNPSARLT487 ALRIKKTLTK497 ID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:230 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.533
THR203
4.807
VAL204
3.295
ALA205
3.461
ARG206
2.935
ILE208
4.250
VAL214
3.506
VAL222
3.739
TRP227
3.575
GLU230
3.607
ALA233
3.593
VAL234
4.196
LYS235
3.403
GLU248
4.427
LEU263
4.049
ILE266
3.692
ALA267
4.511
|
|||||
| PDB ID: 5S7U XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a | ||||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [41] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SSTQLWLITH284 YHEMGSLYDY294 LQLTTLDTVS304 CLRIVLSIAS 314 GLAHLHIEIF324 GGKPAIAHRD336 LKSKNILVKK346 NGQCCIADLG356 LAVMHRVGTK 379 RYMAPEVLDE389 TIQVDCFDSY399 KRVDIWAFGL409 VLWEVARRMV419 SNGIVEDYKP 429 PFYDVVPNDP439 SFEDMRKVVC449 VDQQRPNIPN459 RWFSDPTLTS469 LAKLMKECWY 479 QNPSARLTAL489 RIKKTLTKID499
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.645
THR203
4.863
VAL204
3.460
ALA205
3.286
ARG206
2.971
ILE208
3.868
VAL214
3.603
VAL222
3.658
TRP227
3.354
ALA233
3.389
VAL234
3.941
LYS235
3.319
GLU248
4.560
LEU263
4.004
ILE266
3.587
ALA267
4.537
ASP269
4.124
|
|||||
| PDB ID: 5S8B XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010960a | ||||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | Yes | [42] |
| PDB Sequence |
QRTVARDITL
210 LECVGKGRYG220 EVWRGSWQGE230 NVAVKIFSSR240 DEKSWFRETE250 LYNTVMLRHE 260 NILGFIASDM270 TSRHSSTQLW280 LITHYHEMGS290 LYDYLQLTTL300 DTVSCLRIVL 310 SIASGLAHLH320 IEIFGGKPAI332 AHRDLKSKNI342 LVKKNGQCCI352 ADLGLAVMHR 375 VGTKRYMAPE385 VLDETIQVDC395 FDSYKRVDIW405 AFGLVLWEVA415 RRMVSNGIVE 425 DYKPPFYDVV435 PNDPSFEDMR445 KVVCVDQQRP455 NIPNRWFSDP465 TLTSLAKLMK 475 ECWYQNPSAR485 LTALRIKKTL495 TKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.173
THR203
4.572
VAL204
3.304
ALA205
3.755
ARG206
2.982
ILE208
4.405
GLU212
4.631
VAL214
3.617
VAL222
3.821
TRP227
3.516
VAL232
4.994
ALA233
3.623
VAL234
4.157
LYS235
3.475
GLU248
4.352
LEU263
3.947
ILE266
3.635
ALA267
3.698
|
|||||
| PDB ID: 5S80 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a | ||||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | Yes | [43] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGGKPAIA333 HRDLKSKNIL343 VKKNGQCCIA353 DLGLAVMHRV 376 GTKRYMAPEV386 LDETIQVDCF396 DSYKRVDIWA406 FGLVLWEVAR416 RMVSNGIVED 426 YKPPFYDVVP436 NDPSFEDMRK446 VVCVDQQRPN456 IPNRWFSDPT466 LTSLAKLMKE 476 CWYQNPSARL486 TALRIKKTLT496 KID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:212 or .A:214 or .A:222 or .A:227 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.496
THR203
4.689
VAL204
3.407
ALA205
3.376
ARG206
2.946
ILE208
4.501
GLU212
4.509
VAL214
3.670
VAL222
3.739
TRP227
3.487
ALA233
3.516
VAL234
4.047
LYS235
3.385
GLU248
4.327
LEU263
3.895
ILE266
3.563
ALA267
4.473
|
|||||
| PDB ID: 5S82 XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c | ||||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | Yes | [44] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 STQLWLITHY285 HEMGSLYDYL295 QLTTLDTVSC305 LRIVLSIASG 315 LAHLHIEIFG325 GKPAIAHRDL337 KSKNILVKKN347 GQCCIADLGL357 AVMHRVGTKR 380 YMAPEVLDET390 IQVDCFDSYK400 RVDIWAFGLV410 LWEVARRMVS420 NGIVEDYKPP 430 FYDVVPNDPS440 FEDMRKVVCV450 DQQRPNIPNR460 WFSDPTLTSL470 AKLMKECWYQ 480 NPSARLTALR490 IKKTLTKID
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:232 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG202
3.956
THR203
4.907
VAL204
3.531
ALA205
3.423
ARG206
2.995
ILE208
3.940
VAL214
3.680
VAL222
3.743
TRP227
3.353
VAL232
4.987
ALA233
3.407
VAL234
3.857
LYS235
3.376
GLU248
4.683
LEU263
3.911
ILE266
3.586
ALA267
4.493
|
|||||
| PDB ID: 5S7G XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035844b | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | Yes | [45] |
| PDB Sequence |
RTVARDITLL
211 ECVGKGRYGE221 VWRGSWQGEN231 VAVKIFSSRD241 EKSWFRETEL251 YNTVMLRHEN 261 ILGFIASDMT271 SRHSSTQLWL281 ITHYHEMGSL291 YDYLQLTTLD301 TVSCLRIVLS 311 IASGLAHLHI321 EIFGTQGKPA331 IAHRDLKSKN341 ILVKKNGQCC351 IADLGLAVMH 361 RVGTKRYMAP384 EVLDETIQVD394 CFDSYKRVDI404 WAFGLVLWEV414 ARRMVSNGIV 424 EDYKPPFYDV434 VPNDPSFEDM444 RKVVCVDQQR454 PNIPNRWFSD464 PTLTSLAKLM 474 KECWYQNPSA484 RLTALRIKKT494 LTKI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU8 or .LU82 or .LU83 or :3LU8;style chemicals stick;color identity;select .A:203 or .A:204 or .A:205 or .A:206 or .A:208 or .A:214 or .A:222 or .A:227 or .A:230 or .A:233 or .A:234 or .A:235 or .A:248 or .A:263 or .A:266 or .A:267 or .A:269 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:290 or .A:293 or .A:340 or .A:341 or .A:343 or .A:353 or .A:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR203
4.821
VAL204
3.582
ALA205
3.662
ARG206
3.479
ILE208
3.900
VAL214
3.635
VAL222
3.790
TRP227
3.320
GLU230
3.515
ALA233
3.322
VAL234
3.997
LYS235
3.495
GLU248
4.693
LEU263
3.965
ILE266
3.450
ALA267
4.135
ASP269
3.000
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 | ||||
| REF 2 | XChem group deposition | ||||
| REF 3 | XChem group deposition | ||||
| REF 4 | XChem group deposition | ||||
| REF 5 | XChem group deposition | ||||
| REF 6 | XChem group deposition | ||||
| REF 7 | XChem group deposition | ||||
| REF 8 | XChem group deposition | ||||
| REF 9 | XChem group deposition | ||||
| REF 10 | XChem group deposition | ||||
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