PDB entry 5aau
View 5aau on RCSB PDB site
Description: Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
Class: signaling protein
Keywords: signaling protein, breast cancer, estrogen receptor downregulator, fulvestrant, azd9496, nuclear hormone receptor
Deposited on
2015-07-28, released
2015-10-14
The last revision prior to the SCOPe 2.07 freeze date was dated
2016-10-12, with a file datestamp of
2016-10-07.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: N/A
AEROSPACI score: 0.34
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Estrogen receptor
Species: Homo sapiens [TaxId:9606]
Database cross-references and differences (RAF-indexed):
- Uniprot P03372 (4-End)
- expression tag (0-3)
- engineered mutation (78)
- engineered mutation (114)
- engineered mutation (233)
Domains in SCOPe 2.07: d5aaua1, d5aaua2 - Chain 'B':
Compound: Estrogen receptor
Species: Homo sapiens [TaxId:9606]
Database cross-references and differences (RAF-indexed):
- Uniprot P03372
- engineered mutation (78)
- engineered mutation (114)
- engineered mutation (233)
Domains in SCOPe 2.07: d5aaub_ - Heterogens: XBR, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>5aauA (A:)
gshmalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhminwak
rvpgfvdltlhdqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgksvegmv
eifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihrvldki
tdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpsydllle
mldahrlhapts
Sequence, based on observed residues (ATOM records): (download)
>5aauA (A:)
gshmalsltadqmvsalldaeppilyseysmmglltnladrelvhminwakrvpgfvdlt
lhdqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgksvegmveifdmllat
ssrfrmmnlqgeefvclksiillnsgvytfeekdhihrvldkitdtlihlmakagltlqq
qhqrlaqlllilshirhmsnkgmehlysmvvpsydlllemldahrlhap
- Chain 'B':
Sequence, based on SEQRES records: (download)
>5aauB (B:)
gshmalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhminwak
rvpgfvdltlhdqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgksvegmv
eifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihrvldki
tdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpsydllle
mldahrlhapts
Sequence, based on observed residues (ATOM records): (download)
>5aauB (B:)
ltadqmvsalldaeppilyseypfseasmmglltnladrelvhminwakrvpgfvdltlh
dqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgksvegmveifdmllatss
rfrmmnlqgeefvclksiillnsgvytflsekdhihrvldkitdtlihlmakagltlqqq
hqrlaqlllilshirhmsnkgmehlysmvvpsydlllemlda