2026-01-31_00000128
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ligand
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9N27
Crystal structure of Melanotaenia fluviatilis estrogen receptor alpha ligand binding domain complexed with Bisphenol TMC;
X-ray diffraction 2.15Å
Protein #1
251 residues (96% resolved)
Raw Sequence ...
MHHHHHHMPPEQVLILLQGAEPPILCSRQKLSRPYTEVTMMTLLTSMADKELVHMIAWAKKLPGFLQLSLHDQVLLLESSWLEVLMIGLIWRSIHCPGKLIFAQDLILDRNEGDCVEGMTEIFDMLLATASRFRLLKLKPEEFLCLKAIILLNSGAFSFCTGTMEPLHDSTAVQNMLDTITDALIHHISQSGYSAQQQARRQAQLLLLLSHIRHMSNKGMEHLYSMKCKNKVPLYDLLLEMLDAHHLHQPV
Canonical Sequence ...
MHHHHHHMPPEQVLILLQGAEPPILCSRQKLSRPYTEVTMMTLLTSMADKELVHMIAWAKKLPGFLQLSLHDQVLLLESSWLEVLMIGLIWRSIHCPGKLIFAQDLILDRNEGDCVEGMTEIFDMLLATASRFRLLKLKPEEFLCLKAIILLNSGAFSFCTGTMEPLHDSTAVQNMLDTITDALIHHISQSGYSAQQQARRQAQLLLLLSHIRHMSNKGMEHLYSMKCKNKVPLYDLLLEMLDAHHLHQPV
Non polymer #2
A1BVK
InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3/t15-/m0/s1
InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3/t15-/m0/s1
SMILES: C[C@H]1CC(CC(C1)(c2ccc(cc2)O)c3ccc(cc3)O)(C)C
C[C@H]1CC(CC(C1)(c2ccc(cc2)O)c3ccc(cc3)O)(C)C
Non polymer #3
A1BWR
InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3/t15-/m1/s1
InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3/t15-/m1/s1
SMILES: C[C@@H]1CC(CC(C1)(c2ccc(cc2)O)c3ccc(cc3)O)(C)C
C[C@@H]1CC(CC(C1)(c2ccc(cc2)O)c3ccc(cc3)O)(C)C
Biounit #1
homo-dimer
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Model
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