Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02506 | Target Info | |||
| Target Name | HUMAN estrogen receptor (ESR1) | ||||
| Synonyms | Nuclear receptor subfamily 3 group A member 1; NR3A1; Estradiol receptor; ESR; ER-alpha; ER | ||||
| Gene Name | ESR1 | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cysteine Sulfenic Acid | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)SO | ||||
| InChI | 1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | ||||
| InChIKey | FXIRVRPOOYSARH-REOHCLBHSA-N | ||||
| PubChem Compound ID | 165339 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4MGA Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
> Chain A
SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KCGMVEIFDM427 LLATSSRFRM437 MNLQGEEFVC447 LKSIILLNSG457 VYTFSTLKSL 469 EEKDHIHRVL479 DKITDTLIHL489 MAKAGLTLQQ499 QHQRLAQLLL509 ILSHIRHMSN 519 KGMEHLYSMK529 KNVVPLSDLL540 LEMLDAHRL> Chain B KNSLALSLTA 312 DQMVSALLDA322 EPPILYSEYD332 PTRPFSEASM342 MGLLTNLADR352 ELVHMINWAK 362 RVPGFVDLTL372 HDQVHLLEAW383 LEILMIGLVW393 RSMEHPGKLL403 FAPNLLLDRN 413 QGKVEGMVEI424 FDMLLATSSR434 FRMMNLQGEE444 FVCLKSIILL454 NSGVYTFKDH 474 IHRVLDKITD484 TLIHLMAKAG494 LTLQQQHQRL504 AQLLLILSHI514 RHMSNKGMEH 524 LYSMKKNVVP535 LSDLLLEMLD545 AHR
|
|||||
|
|
VAL376[A]
4.956
HIS377[A]
2.947
LEU378[A]
3.308
LEU379[A]
3.189
GLU380[A]
1.328
ALA382[A]
1.330
TRP383[A]
3.622
GLU385[A]
3.986
SER456[A]
4.234
GLY457[A]
3.769
THR460[A]
3.539
SER518[A]
4.953
TYR526[A]
3.153
SER527[A]
3.399
MET528[A]
3.275
LYS529[A]
1.328
LYS531[A]
1.330
ASN532[A]
3.254
HIS547[A]
3.787
HIS516[A]
3.955
PRO336[B]
4.288
PHE337[B]
2.900
SER338[B]
4.368
GLU339[B]
3.937
MET342[B]
4.861
VAL376[B]
4.939
HIS377[B]
3.083
LEU378[B]
3.376
LEU379[B]
3.185
GLU380[B]
1.328
ALA382[B]
1.328
TRP383[B]
3.625
GLU385[B]
4.163
ASN413[B]
3.866
GLN414[B]
3.209
GLY415[B]
3.184
LYS416[B]
1.330
VAL418[B]
1.329
GLU419[B]
3.658
SER456[B]
3.233
GLY457[B]
3.696
ARG515[B]
3.753
SER518[B]
4.989
TYR526[B]
3.022
SER527[B]
3.206
MET528[B]
3.291
LYS529[B]
1.331
LYS531[B]
1.328
ASN532[B]
3.238
HIS547[B]
3.477
|
|||||
| PDB ID: 4MG8 Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalanol | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [1] |
| PDB Sequence |
> Chain A
SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KVEGMVEIFD426 MLLATSSRFR436 MMNLQGEEFV446 CLKSIILLNS456 GVYTFSTLKS 468 LEEKDHIHRV478 LDKITDTLIH488 LMAKAGLTLQ498 QQHQRLAQLL508 LILSHIRHMS 518 NKGMEHLYSM528 KCKNVVPLSD538 LLLEMLDAHR548 > Chain B KNSLALSLTA 312 DQMVSALLDA322 EPPILYSEYD332 PTRPFSEASM342 MGLLTNLADR352 ELVHMINWAK 362 RVPGFVDLTL372 HDQVHLLEAW383 LEILMIGLVW393 RSMEHPGKLL403 FAPNLLLDRN 413 QGKVEGMVEI424 FDMLLATSSR434 FRMMNLQGEE444 FVCLKSIILL454 NSGVYTFKDH 474 IHRVLDKITD484 TLIHLMAKAG494 LTLQQQHQRL504 AQLLLILSHI514 RHMSNKGMEH 524 LYSMKKNVVP535 LSDLLLEMLD545 AHRL
|
|||||
|
|
PHE337[A]
3.347
SER338[A]
3.509
GLU339[A]
3.043
MET342[A]
3.490
VAL376[A]
4.913
HIS377[A]
2.921
LEU378[A]
3.431
LEU379[A]
3.254
GLU380[A]
1.321
ALA382[A]
1.329
TRP383[A]
3.550
GLU385[A]
4.143
ASN413[A]
4.244
GLN414[A]
3.107
GLY415[A]
3.012
LYS416[A]
1.330
VAL418[A]
1.329
GLU419[A]
4.274
SER456[A]
3.102
GLY457[A]
3.721
THR460[A]
4.514
ARG515[A]
3.647
SER518[A]
4.919
HIS547[A]
3.616
HIS516[A]
4.040
HIS516[B]
4.052
PHE337[B]
3.559
SER338[B]
4.477
GLU339[B]
3.356
MET342[B]
4.070
VAL376[B]
4.848
HIS377[B]
2.987
LEU378[B]
3.434
LEU379[B]
3.177
GLU380[B]
1.327
ALA382[B]
1.336
TRP383[B]
3.628
GLU385[B]
4.203
ASN413[B]
3.938
GLN414[B]
3.051
GLY415[B]
3.017
LYS416[B]
1.331
VAL418[B]
1.327
GLU419[B]
4.214
SER456[B]
3.373
GLY457[B]
3.535
ARG515[B]
3.636
TYR526[B]
2.852
SER527[B]
3.228
MET528[B]
3.282
LYS529[B]
1.332
LYS531[B]
1.330
ASN532[B]
3.057
HIS547[B]
3.522
|
|||||
| PDB ID: 4MGB Crystal structure of hERa-LBD (Y537S) in complex with TCBPA | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [1] |
| PDB Sequence |
> Chain A
SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KEGMVEIFDM427 LLATSSRFRM437 MNLQGEEFVC447 LKSIILLNSG457 VYTFSTLKSL 469 EEKDHIHRVL479 DKITDTLIHL489 MAKAGLTLQQ499 QHQRLAQLLL509 ILSHIRHMSN 519 KGMEHLYSMK529 CKNVVPLSDL539 LLEMLDAHR> Chain B KNSLALSLTA 312 DQMVSALLDA322 EPPILYSEYD332 PRPFSEASMM343 GLLTNLADRE353 LVHMINWAKR 363 VPGFVDLTLH373 DQVHLLEAWL384 EILMIGLVWR394 SMEHPGKLLF404 APNLLLDRNQ 414 GKCVEGMVEI424 FDMLLATSSR434 FRMMNLQGEE444 FVCLKSIILL454 NSGVYTFDHI 475 HRVLDKITDT485 LIHLMAKAGL495 TLQQQHQRLA505 QLLLILSHIR515 HMSNKGMEHL 525 YSMKKNVVPL536 SDLLLEMLDA546 HR
|
|||||
|
|
VAL376[A]
4.863
HIS377[A]
2.859
LEU378[A]
3.318
LEU379[A]
3.103
GLU380[A]
1.326
ALA382[A]
1.331
TRP383[A]
3.612
GLU385[A]
4.044
SER456[A]
3.425
GLY457[A]
3.706
THR460[A]
4.732
ARG515[A]
3.576
SER518[A]
4.979
HIS547[A]
3.653
HIS516[A]
3.910
HIS516[B]
3.938
VAL376[B]
4.865
HIS377[B]
3.015
LEU378[B]
3.314
LEU379[B]
3.155
GLU380[B]
1.329
ALA382[B]
1.328
TRP383[B]
3.598
GLU385[B]
4.208
SER456[B]
3.421
GLY457[B]
3.688
ARG515[B]
3.688
SER518[B]
4.984
TYR526[B]
2.988
SER527[B]
3.168
MET528[B]
3.272
LYS529[B]
1.331
LYS531[B]
1.328
ASN532[B]
3.108
HIS547[B]
3.421
|
|||||
| PDB ID: 4MGD Crystal structure of hERa-LBD (Y537S) in complex with HPTE | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
> Chain A
SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KEGMVEIFDM427 LLATSSRFRM437 MNLQGEEFVC447 LKSIILLNSG457 VYTFSTLKSL 469 EEKDHIHRVL479 DKITDTLIHL489 MAKAGLTLQQ499 QHQRLAQLLL509 ILSHIRHMSN 519 KGMEHLYSMK529 CKNVVPLSDL539 LLEMLDAHRL549 > Chain B KNSLALSLTA 312 DQMVSALLDA322 EPPILYSEYD332 PTRPFSEASM342 MGLLTNLADR352 ELVHMINWAK 362 RVPGFVDLTL372 HDQVHLLEAW383 LEILMIGLVW393 RSMEHPGKLL403 FAPNLLLDRN 413 QGKCVEGMVE423 IFDMLLATSS433 RFRMMNLQGE443 EFVCLKSIIL453 LNSGVYTFKD 473 HIHRVLDKIT483 DTLIHLMAKA493 GLTLQQQHQR503 LAQLLLILSH513 IRHMSNKGME 523 HLYSMKKNVV534 PLSDLLLEML544 DAHR
|
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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 .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:456 or .A:457 or .A:460 or .A:515 or .A:518 or .A:547 or .A:516 or .B:516 or .B:376 or .B:377 or .B:378 or .B:379 or .B:380 or .B:382 or .B:383 or .B:385 or .B:456 or .B:457 or .B:460 or .B:515 or .B:526 or .B:527 or .B:528 or .B:529 or .B:531 or .B:532 or .B:547; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS377[A]
2.987
LEU378[A]
3.381
LEU379[A]
3.175
GLU380[A]
1.326
ALA382[A]
1.330
TRP383[A]
3.583
GLU385[A]
4.071
SER456[A]
3.291
GLY457[A]
3.828
THR460[A]
4.347
ARG515[A]
3.577
SER518[A]
4.921
HIS547[A]
3.814
HIS516[A]
4.024
HIS516[B]
3.918
VAL376[B]
4.897
HIS377[B]
3.081
LEU378[B]
3.365
LEU379[B]
3.140
GLU380[B]
1.329
ALA382[B]
1.332
TRP383[B]
3.634
GLU385[B]
4.192
SER456[B]
3.308
GLY457[B]
3.616
THR460[B]
4.887
ARG515[B]
3.501
TYR526[B]
3.013
SER527[B]
3.047
MET528[B]
3.457
LYS529[B]
1.330
LYS531[B]
1.329
ASN532[B]
3.105
HIS547[B]
3.518
|
|||||
| PDB ID: 4TUZ Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [2] |
| PDB Sequence |
> Chain A
SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KCVEGMVEIF425 DMLLATSSRF435 RMMNLQGEEF445 VCLKSIILLN455 SGVYTFEEKD 473 HIHRVLDKIT483 DTLIHLMAKA493 GLTLQQQHQR503 LAQLLLILSH513 IRHMSNKGME 523 HLYSMKKNVV534 PLSDLLLEML544 DAHRL> Chain B SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KVEGMVEIFD426 MLLATSSRFR436 MMNLQGEEFV446 CLKSIILLNS456 GVYTFLSTLK 467 SLEEKDHIHR477 VLDKITDTLI487 HLMAKAGLTL497 QQQHQRLAQL507 LLILSHIRHM 517 SNKGMEHLYS527 MKKNVVPLSD538 LLLEMLDAHR548 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:376 or .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:456 or .A:457 or .A:515 or .A:526 or .A:527 or .A:528 or .A:529 or .A:531 or .A:532 or .A:547 or .A:516 or .B:516 or .B:337 or .B:338 or .B:339 or .B:342 or .B:376 or .B:377 or .B:378 or .B:379 or .B:380 or .B:382 or .B:383 or .B:385 or .B:413 or .B:414 or .B:415 or .B:416 or .B:418 or .B:419 or .B:456 or .B:457 or .B:460 or .B:515 or .B:518 or .B:526 or .B:527 or .B:528 or .B:529 or .B:531 or .B:532 or .B:547; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL376[A]
4.847
HIS377[A]
2.933
LEU378[A]
3.273
LEU379[A]
3.209
GLU380[A]
1.326
ALA382[A]
1.328
TRP383[A]
3.633
GLU385[A]
4.036
SER456[A]
3.486
GLY457[A]
3.765
ARG515[A]
3.839
TYR526[A]
2.944
SER527[A]
3.309
MET528[A]
3.385
LYS529[A]
1.332
LYS531[A]
1.326
ASN532[A]
3.406
HIS547[A]
3.466
HIS516[A]
3.984
HIS516[B]
3.962
PHE337[B]
4.129
SER338[B]
4.518
GLU339[B]
3.175
MET342[B]
4.054
VAL376[B]
4.881
HIS377[B]
3.028
LEU378[B]
3.300
LEU379[B]
3.223
GLU380[B]
1.328
ALA382[B]
1.330
TRP383[B]
3.617
GLU385[B]
4.161
ASN413[B]
4.492
GLN414[B]
3.038
GLY415[B]
3.144
LYS416[B]
1.332
VAL418[B]
1.328
GLU419[B]
4.330
SER456[B]
3.500
GLY457[B]
3.687
THR460[B]
4.954
ARG515[B]
3.697
SER518[B]
4.964
TYR526[B]
3.217
SER527[B]
3.599
MET528[B]
3.463
LYS529[B]
1.332
LYS531[B]
1.328
ASN532[B]
3.027
HIS547[B]
3.484
|
|||||
| PDB ID: 4MG9 Crystal structure of hERa-LBD (Y537S) in complex with butylparaben | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
> Chain A
SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KCVEGMVEIF425 DMLLATSSRF435 RMMNLQGEEF445 VCLKSIILLN455 SGVYTFSTLK 467 SLEEKDHIHR477 VLDKITDTLI487 HLMAKAGLTL497 QQQHQRLAQL507 LLILSHIRHM 517 SNKGMEHLYS527 MKCKNVVPLS537 DLLLEMLDAH547 R> Chain B NSLALSLTAD 313 QMVSALLDAE323 PPILYSEYDP333 FSEASMMGLL346 TNLADRELVH356 MINWAKRVPG 366 FVDLTLHDQV376 HLLEAWLEIL387 MIGLVWRSME397 HPGKLLFAPN407 LLLDRNQGKV 418 EGMVEIFDML428 LATSSRFRMM438 NLQGEEFVCL448 KSIILLNSGV458 YTFEKDHIHR 477 VLDKITDTLI487 HLMAKAGLTL497 QQQHQRLAQL507 LLILSHIRHM517 SNKGMEHLYS 527 MKKNVVPLSD538 LLLEMLDAHR548
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:376 or .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:456 or .A:457 or .A:460 or .A:515 or .A:518 or .A:547 or .B:516 or .B:337 or .B:338 or .B:339 or .B:376 or .B:377 or .B:378 or .B:379 or .B:380 or .B:382 or .B:383 or .B:385 or .B:413 or .B:414 or .B:415 or .B:416 or .B:418 or .B:419 or .B:456 or .B:457 or .B:460 or .B:518 or .B:526 or .B:527 or .B:528 or .B:529 or .B:531 or .B:532 or .B:547; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL376[A]
4.995
HIS377[A]
3.006
LEU378[A]
3.474
LEU379[A]
3.197
GLU380[A]
1.323
ALA382[A]
1.329
TRP383[A]
3.607
GLU385[A]
4.166
SER456[A]
2.948
GLY457[A]
3.630
THR460[A]
4.376
ARG515[A]
3.811
SER518[A]
4.886
HIS547[A]
3.607
HIS516[B]
3.966
PHE337[B]
3.242
SER338[B]
4.651
GLU339[B]
3.785
VAL376[B]
4.852
HIS377[B]
3.057
LEU378[B]
3.345
LEU379[B]
3.215
GLU380[B]
1.328
ALA382[B]
1.331
TRP383[B]
3.614
GLU385[B]
4.245
ASN413[B]
3.748
GLN414[B]
3.191
GLY415[B]
3.048
LYS416[B]
1.330
VAL418[B]
1.328
GLU419[B]
3.877
SER456[B]
4.375
GLY457[B]
3.830
THR460[B]
4.177
SER518[B]
4.994
TYR526[B]
2.851
SER527[B]
3.099
MET528[B]
3.393
LYS529[B]
1.331
LYS531[B]
1.328
ASN532[B]
2.888
HIS547[B]
3.327
|
|||||
| PDB ID: 4MG5 Crystal structure of hERa-LBD (Y537S) in complex with chlordecone | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [1] |
| PDB Sequence |
SLALSLTADQ
314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KCVEGMVEIF425 DMLLATSSRF435 RMMNLQGEEF445 VCLKSIILLN455 SGVYTFSTLK 467 SLEEKDHIHR477 VLDKITDTLI487 HLMAKAGLTL497 QQQHQRLAQL507 LLILSHIRHM 517 SNKGMEHLYS527 MKKNVVPLSD538 LLLEMLDAH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:456 or .A:457 or .A:460 or .A:515 or .A:518 or .A:526 or .A:527 or .A:528 or .A:529 or .A:531 or .A:532 or .A:547; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4MG6 Crystal structure of hERa-LBD (Y537S) in complex with benzylbutylphtalate | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
SLALSLTADQ
314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQM 421 VEIFDMLLAT431 SSRFRMMNLQ441 GEEFVCLKSI451 ILLNSGVYTF461 TLKSLEEKDH 474 IHRVLDKITD484 TLIHLMAKAG494 LTLQQQHQRL504 AQLLLILSHI514 RHMSNKGMEH 524 LYSMKKNVVP535 LSDLLLEMLD545 AHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:456 or .A:457 or .A:460 or .A:515 or .A:518 or .A:526 or .A:527 or .A:528 or .A:529 or .A:531 or .A:532 or .A:547; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5JMM Crystal structure of hERa-LBD (Y537S) in complex with biochanin A | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [3] |
| PDB Sequence |
> Chain A
LALSLTADQM 315 VSALLDAEPP325 ILYSEYDPTR335 PFSEASMMGL345 LTNLADRELV355 HMINWAKRVP 365 GFVDLTLHDQ375 VHLLEAWLEI386 LMIGLVWRSM396 EHPGKLLFAP406 NLLLDRNMVE 423 IFDMLLATSS433 RFRMMNLQGE443 EFVCLKSIIL453 LNSGVYTFKS468 LEEKDHIHRV 478 LDKITDTLIH488 LMAKAGLTLQ498 QQHQRLAQLL508 LILSHIRHMS518 NKGMEHLYSM 528 KCKNVVPLSD538 LLLEMLDAHR548 > Chain B NSLALSLTAD 313 QMVSALLDAE323 PPILYSEYDP333 TRPFSEASMM343 GLLTNLADRE353 LVHMINWAKR 363 VPGFVDLTLH373 DQVHLLEAWL384 EILMIGLVWR394 SMEHPGKLLF404 APNLLLDRNQ 414 GKCVEGMVEI424 FDMLLATSSR434 FRMMNLQGEE444 FVCLKSIILL454 NSGVYTFKDH 474 IHRVLDKITD484 TLIHLMAKAG494 LTLQQQHQRL504 AQLLLILSHI514 RHMSNKGMEH 524 LYSMKKNVVP535 LSDLLLEMLD545 AHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:376 or .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:456 or .A:457 or .A:515 or .A:518 or .A:547 or .A:516 or .B:516 or .B:376 or .B:377 or .B:378 or .B:379 or .B:380 or .B:382 or .B:383 or .B:385 or .B:456 or .B:457 or .B:515 or .B:526 or .B:527 or .B:528 or .B:529 or .B:531 or .B:532 or .B:547; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL376[A]
4.943
HIS377[A]
2.968
LEU378[A]
3.425
LEU379[A]
3.203
GLU380[A]
1.327
ALA382[A]
1.332
TRP383[A]
3.647
GLU385[A]
4.283
SER456[A]
3.321
GLY457[A]
3.843
ARG515[A]
3.955
SER518[A]
4.895
HIS547[A]
3.705
HIS516[A]
3.783
HIS516[B]
3.724
VAL376[B]
4.806
HIS377[B]
2.929
|
|||||
| PDB ID: 4MG7 Crystal structure of hERa-LBD (Y537S) in complex with ferutinine | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [1] |
| PDB Sequence |
> Chain A
SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQE 419 GMVEIFDMLL429 ATSSRFRMMN439 LQGEEFVCLK449 SIILLNSGVY459 TFSTLKSLEE 471 KDHIHRVLDK481 ITDTLIHLMA491 KAGLTLQQQH501 QRLAQLLLIL511 SHIRHMSNKG 521 MEHLYSMKCK531 NVVPLSDLLL541 EMLDAHRL> Chain B KNSLALSLTA 312 DQMVSALLDA322 EPPILYSEYD332 PTRPFSEASM342 MGLLTNLADR352 ELVHMINWAK 362 RVPGFVDLTL372 HDQVHLLEAW383 LEILMIGLVW393 RSMEHPGKLL403 FAPNLLLDRN 413 QGKVEGMVEI424 FDMLLATSSR434 FRMMNLQGEE444 FVCLKSIILL454 NSGVYTFDHI 475 HRVLDKITDT485 LIHLMAKAGL495 TLQQQHQRLA505 QLLLILSHIR515 HMSNKGMEHL 525 YSMKKNVVPL536 SDLLLEMLDA546 HR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:376 or .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:456 or .A:457 or .A:460 or .A:515 or .A:518 or .A:547 or .A:516 or .B:516 or .B:337 or .B:376 or .B:377 or .B:378 or .B:379 or .B:380 or .B:382 or .B:383 or .B:385 or .B:413 or .B:414 or .B:415 or .B:416 or .B:418 or .B:419 or .B:456 or .B:457 or .B:515 or .B:526 or .B:527 or .B:528 or .B:529 or .B:531 or .B:532 or .B:547; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL376[A]
4.986
HIS377[A]
3.112
LEU378[A]
3.327
LEU379[A]
3.178
GLU380[A]
1.328
ALA382[A]
1.330
TRP383[A]
3.602
GLU385[A]
4.020
SER456[A]
3.360
GLY457[A]
3.817
THR460[A]
4.679
ARG515[A]
3.752
SER518[A]
4.917
HIS547[A]
3.730
HIS516[A]
3.884
HIS516[B]
3.754
PHE337[B]
3.261
VAL376[B]
4.990
HIS377[B]
3.083
LEU378[B]
3.294
LEU379[B]
3.190
GLU380[B]
1.329
ALA382[B]
1.329
TRP383[B]
3.615
GLU385[B]
3.843
ASN413[B]
3.547
GLN414[B]
3.541
GLY415[B]
3.028
LYS416[B]
1.330
VAL418[B]
1.328
GLU419[B]
4.208
SER456[B]
3.473
GLY457[B]
3.630
ARG515[B]
3.612
TYR526[B]
3.045
SER527[B]
3.105
MET528[B]
3.308
LYS529[B]
1.329
LYS531[B]
1.329
ASN532[B]
3.206
HIS547[B]
3.646
|
|||||
| PDB ID: 4MGC Crystal structure of hERa-LBD (Y537S) in complex with benzophenone-2 | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [1] |
| PDB Sequence |
LALSLTADQM
315 VSALLDAEPP325 ILYSEYDPTR335 FSEASMMGLL346 TNLADRELVH356 MINWAKRVPG 366 FVDLTLHDQV376 HLLEAWLEIL387 MIGLVWRSME397 HPGKLLFAPN407 LLLDRNQGKV 418 EGMVEIFDML428 LATSSRFRMM438 NLQGEEFVCL448 KSIILLNSGV458 YTFKSLEEKD 473 HIHRVLDKIT483 DTLIHLMAKA493 GLTLQQQHQR503 LAQLLLILSH513 IRHMSNKGME 523 HLYSMKKNVV534 PLSDLLLEML544 DAHRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:337 or .A:338 or .A:339 or .A:342 or .A:376 or .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:413 or .A:414 or .A:415 or .A:416 or .A:418 or .A:419 or .A:456 or .A:457 or .A:515 or .A:526 or .A:527 or .A:528 or .A:529 or .A:531 or .A:532 or .A:547; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE337
4.320
SER338
4.699
GLU339
3.191
MET342
4.341
VAL376
4.849
HIS377
3.054
LEU378
3.352
LEU379
3.210
GLU380
1.329
ALA382
1.330
TRP383
3.560
GLU385
4.233
ASN413
4.408
GLN414
3.194
|
|||||
| PDB ID: 3UUD Crystal structure of hERa-LBD (Y537S) in complex with estradiol | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KCVEGMVEIF425 DMLLATSSRF435 RMMNLQGEEF445 VCLKSIILLN455 SGVYTFTLKS 468 LEEKDHIHRV478 LDKITDTLIH488 LMAKAGLTLQ498 QQHQRLAQLL508 LILSHIRHMS 518 NKGMEHLYSM528 KKNVVPLSDL539 LLEMLDAHRL549 > Chain B NSLALSLTAD 313 QMVSALLDAE323 PPILYSEYDP333 TRPFSEASMM343 GLLTNLADRE353 LVHMINWAKR 363 VPGFVDLTLH373 DQVHLLEAWL384 EILMIGLVWR394 SMEHPGKLLF404 APNLLLDRNQ 414 GKVEGMVEIF425 DMLLATSSRF435 RMMNLQGEEF445 VCLKSIILLN455 SGVYTFKDHI 475 HRVLDKITDT485 LIHLMAKAGL495 TLQQQHQRLA505 QLLLILSHIR515 HMSNKGMEHL 525 YSMKCKNVVP535 LSDLLLEMLD545 AHRLH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:376 or .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:456 or .A:457 or .A:460 or .A:518 or .A:526 or .A:527 or .A:528 or .A:529 or .A:531 or .A:532 or .A:547 or .A:516 or .B:336 or .B:337 or .B:338 or .B:339 or .B:342 or .B:376 or .B:377 or .B:378 or .B:379 or .B:380 or .B:382 or .B:383 or .B:385 or .B:413 or .B:414 or .B:415 or .B:416 or .B:418 or .B:419 or .B:456 or .B:457 or .B:515 or .B:547; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL376[A]
4.922
HIS377[A]
2.993
LEU378[A]
3.351
LEU379[A]
3.177
GLU380[A]
1.322
ALA382[A]
1.327
TRP383[A]
3.654
GLU385[A]
4.133
SER456[A]
4.277
GLY457[A]
3.725
THR460[A]
3.936
SER518[A]
4.999
TYR526[A]
2.948
SER527[A]
3.404
MET528[A]
3.380
LYS529[A]
1.324
LYS531[A]
1.299
ASN532[A]
3.151
HIS547[A]
3.653
HIS516[A]
4.109
PRO336[B]
4.483
PHE337[B]
3.476
SER338[B]
4.277
GLU339[B]
3.353
MET342[B]
4.137
VAL376[B]
4.870
HIS377[B]
2.983
LEU378[B]
3.339
LEU379[B]
3.211
GLU380[B]
1.331
ALA382[B]
1.333
TRP383[B]
3.643
GLU385[B]
4.177
ASN413[B]
4.060
GLN414[B]
3.089
GLY415[B]
3.088
LYS416[B]
1.334
VAL418[B]
1.328
GLU419[B]
4.234
SER456[B]
3.381
GLY457[B]
3.636
ARG515[B]
3.709
HIS547[B]
3.538
|
|||||
| PDB ID: 4TV1 Crystal structure of hERa-LBD (Y537S) in complex with propylparaben | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [2] |
| PDB Sequence |
> Chain A
SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KVEGMVEIFD426 MLLATSSRFR436 MMNLQGEEFV446 CLKSIILLNS456 GVYTFEEKDH 474 IHRVLDKITD484 TLIHLMAKAG494 LTLQQQHQRL504 AQLLLILSHI514 RHMSNKGMEH 524 LYSMKKNVVP535 LSDLLLEMLD545 AHR> Chain B LALSLTADQM 315 VSALLDAEPP325 ILYSEYDPTR335 FSEASMMGLL346 TNLADRELVH356 MINWAKRVPG 366 FVDLTLHDQV376 HLLEAWLEIL387 MIGLVWRSME397 HPGKLLFAPN407 LLLDRNQGKV 418 EGMVEIFDML428 LATSSRFRMM438 NLQGEEFVCL448 KSIILLNSGV458 YTFEKDHIHR 477 VLDKITDTLI487 HLMAKAGLTL497 QQQHQRLAQL507 LLILSHIRHM517 SNKGMEHLYS 527 MKCKNVVPLS537 DLLLEMLDAH547 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:337 or .A:338 or .A:339 or .A:342 or .A:376 or .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:413 or .A:414 or .A:415 or .A:416 or .A:418 or .A:419 or .A:456 or .A:457 or .A:460 or .A:515 or .A:525 or .A:526 or .A:527 or .A:528 or .A:529 or .A:531 or .A:532 or .A:547 or .A:516 or .B:516 or .B:337 or .B:338 or .B:339 or .B:342 or .B:376 or .B:377 or .B:378 or .B:379 or .B:380 or .B:382 or .B:383 or .B:385 or .B:413 or .B:414 or .B:415 or .B:416 or .B:418 or .B:419 or .B:456 or .B:457 or .B:460 or .B:515 or .B:547; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE337[A]
3.220
SER338[A]
3.383
GLU339[A]
3.414
MET342[A]
3.788
VAL376[A]
4.849
HIS377[A]
2.956
LEU378[A]
3.275
LEU379[A]
3.138
GLU380[A]
1.323
ALA382[A]
1.328
TRP383[A]
3.625
GLU385[A]
4.131
ASN413[A]
4.289
GLN414[A]
3.060
GLY415[A]
2.978
LYS416[A]
1.327
VAL418[A]
1.329
GLU419[A]
4.061
SER456[A]
3.358
GLY457[A]
3.692
THR460[A]
4.962
ARG515[A]
3.785
LEU525[A]
4.982
TYR526[A]
2.829
SER527[A]
3.295
MET528[A]
3.349
LYS529[A]
1.327
LYS531[A]
1.329
ASN532[A]
3.412
HIS547[A]
3.524
HIS516[A]
3.958
HIS516[B]
4.004
PHE337[B]
4.362
SER338[B]
4.718
GLU339[B]
3.218
MET342[B]
4.119
VAL376[B]
4.882
HIS377[B]
3.032
LEU378[B]
3.277
LEU379[B]
3.176
GLU380[B]
1.328
ALA382[B]
1.326
TRP383[B]
3.614
GLU385[B]
4.206
ASN413[B]
4.335
GLN414[B]
3.044
GLY415[B]
3.156
LYS416[B]
1.333
VAL418[B]
1.329
GLU419[B]
4.339
SER456[B]
3.484
GLY457[B]
3.670
THR460[B]
4.835
ARG515[B]
3.824
HIS547[B]
3.525
|
|||||
| PDB ID: 3UUA Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
SLALSLTADQ 314 MVSALLDAEP324 PILYSEYDPT334 RPFSEASMMG344 LLTNLADREL354 VHMINWAKRV 364 PGFVDLTLHD374 QVHLLEAWLE385 ILMIGLVWRS395 MEHPGKLLFA405 PNLLLDRNQG 415 KCVEGMVEIF425 DMLLATSSRF435 RMMNLQGEEF445 VCLKSIILLN455 SGVYTFSTLK 467 SLEEKDHIHR477 VLDKITDTLI487 HLMAKAGLTL497 QQQHQRLAQL507 LLILSHIRHM 517 SNKGMEHLYS527 MKCKNVVPLS537 DLLLEMLDAH547 R> Chain B SLALSLTADQ 314 MVSALLDAEP324 PILYSEYPFS338 EASMMGLLTN348 LADRELVHMI358 NWAKRVPGFV 368 DLTLHDQVHL378 LEAWLEILMI389 GLVWRSMEHP399 GKLLFAPNLL409 LDRNQGKCVE 419 GMVEIFDMLL429 ATSSRFRMMN439 LQGEEFVCLK449 SIILLNSGVY459 TFKDHIHRVL 479 DKITDTLIHL489 MAKAGLTLQQ499 QHQRLAQLLL509 ILSHIRHMSN519 KGMEHLYSMK 529 KNVVPLSDLL540 LEMLDAHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:376 or .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:456 or .A:457 or .A:460 or .A:515 or .A:547 or .A:516 or .B:516 or .B:376 or .B:377 or .B:378 or .B:379 or .B:380 or .B:382 or .B:383 or .B:385 or .B:456 or .B:457 or .B:515 or .B:526 or .B:527 or .B:528 or .B:529 or .B:531 or .B:532 or .B:547; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL376[A]
4.959
HIS377[A]
2.996
LEU378[A]
3.299
LEU379[A]
3.131
GLU380[A]
1.327
ALA382[A]
1.330
TRP383[A]
3.675
GLU385[A]
3.907
SER456[A]
3.165
GLY457[A]
3.962
THR460[A]
4.568
ARG515[A]
3.764
HIS547[A]
3.997
HIS516[A]
3.902
HIS516[B]
3.991
VAL376[B]
4.870
HIS377[B]
3.039
|
|||||
| PDB ID: 3UUC Crystal structure of hERa-LBD (wt) in complex with bisphenol-C | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
SLALSLTADQ
314 MVSALLDAEP324 PILYSEYDPT334 REASMMGLLT347 NLADRELVHM357 INWAKRVPGF 367 VDLTLHDQVH377 LLEAWLEILM388 IGLVWRSMEH398 PGKLLFAPNL408 LLDRNQGEGM 421 VEIFDMLLAT431 SSRFRMMNLQ441 GEEFVCLKSI451 ILLNSGVYTF461 SLEEKDHIHR 477 VLDKITDTLI487 HLMAKAGLTL497 QQQHQRLAQL507 LLILSHIRHM517 SNKGMEHLYS 527 MKYDLLLEML544
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:456 or .A:457 or .A:460; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3UU7 Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [4] |
| PDB Sequence |
> Chain A
LALSLTADQM 315 VSALLDAEPP325 ILYSEYDPTR335 PFSEASMMGL345 LTNLADRELV355 HMINWAKRVP 365 GFVDLTLHDQ375 VHLLEAWLEI386 LMIGLVWRSM396 EHPGKLLFAP406 NLLLDRNQGK 416 VEGMVEIFDM427 LLATSSRFRM437 MNLQGEEFVC447 LKSIILLNSG457 VYTFKSLEEK 472 DHIHRVLDKI482 TDTLIHLMAK492 AGLTLQQQHQ502 RLAQLLLILS512 HIRHMSNKGM 522 EHLYSMKCKN532 VVPLSDLLLE542 MLDAHRL> Chain B NSLALSLTAD 313 QMVSALLDAE323 PPILYSEYDP333 TRPFSEASMM343 GLLTNLADRE353 LVHMINWAKR 363 VPGFVDLTLH373 DQVHLLEAWL384 EILMIGLVWR394 SMEHPGKLLF404 APNLLLDRNQ 414 GKVEGMVEIF425 DMLLATSSRF435 RMMNLQGEEF445 VCLKSIILLN455 SGVYTFKDHI 475 HRVLDKITDT485 LIHLMAKAGL495 TLQQQHQRLA505 QLLLILSHIR515 HMSNKGMEHL 525 YSMKKNVVPL536 SDLLLEMLDA546 HR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:337 or .A:338 or .A:339 or .A:342 or .A:376 or .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:383 or .A:385 or .A:413 or .A:414 or .A:415 or .A:416 or .A:418 or .A:419 or .A:456 or .A:457 or .A:460 or .A:515 or .A:518 or .A:547 or .A:516 or .B:516 or .B:337 or .B:338 or .B:339 or .B:342 or .B:376 or .B:377 or .B:378 or .B:379 or .B:380 or .B:382 or .B:383 or .B:385 or .B:413 or .B:414 or .B:415 or .B:416 or .B:418 or .B:419 or .B:456 or .B:457 or .B:515 or .B:518 or .B:526 or .B:527 or .B:528 or .B:529 or .B:531 or .B:532 or .B:547; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE337[A]
4.439
SER338[A]
4.108
GLU339[A]
2.803
MET342[A]
3.916
VAL376[A]
4.982
HIS377[A]
3.099
LEU378[A]
3.627
LEU379[A]
3.214
GLU380[A]
1.316
ALA382[A]
1.307
TRP383[A]
3.573
GLU385[A]
4.272
ASN413[A]
4.313
GLN414[A]
3.090
GLY415[A]
3.753
LYS416[A]
1.325
VAL418[A]
1.318
GLU419[A]
4.259
SER456[A]
3.046
GLY457[A]
3.670
THR460[A]
4.448
ARG515[A]
3.678
SER518[A]
4.914
HIS547[A]
3.583
HIS516[A]
3.848
HIS516[B]
3.990
PHE337[B]
2.668
SER338[B]
4.130
GLU339[B]
3.683
MET342[B]
4.626
VAL376[B]
4.958
HIS377[B]
3.133
LEU378[B]
3.410
LEU379[B]
3.228
GLU380[B]
1.323
ALA382[B]
1.314
TRP383[B]
3.557
GLU385[B]
4.235
ASN413[B]
3.980
GLN414[B]
2.893
GLY415[B]
3.132
LYS416[B]
1.321
VAL418[B]
1.307
GLU419[B]
3.987
SER456[B]
3.364
GLY457[B]
3.692
ARG515[B]
3.692
SER518[B]
4.998
TYR526[B]
3.102
SER527[B]
3.253
MET528[B]
3.446
LYS529[B]
1.326
LYS531[B]
1.310
ASN532[B]
3.156
HIS547[B]
3.495
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural and functional profiling of environmental ligands for estrogen receptors. Environ Health Perspect. 2014 Dec;122(12):1306-13. | ||||
| REF 2 | A structural perspective on nuclear receptors as targets of environmental compounds. Acta Pharmacol Sin. 2015 Jan;36(1):88-101. | ||||
| REF 3 | Crystal structure of hERa-LBD (Y537S) in complex with biochanin A | ||||
| REF 4 | Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes. Proc Natl Acad Sci U S A. 2012 Sep 11;109(37):14930-5. | ||||
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