4MGA: HERa-LBD

Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol. Determined by X-ray diffraction at 1.8 Å resolution. Released 3 Sept 2014.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,158
Mol. weight: 61.75 kDa
Ligands: 27L
Released: 3 Sept 2014

Explore 4MGA in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4MGA contains 25 α-helices and 4 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 11 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	307-309	3
α-helix	312-321	10
α-helix	323-328	6
α-helix	339-361	23
α-helix	367-369	3
α-helix	372-395	24
β-strand	401-405	5	1
β-strand	408-411	4	1
α-helix	421-438	18
α-helix	442-455	14
α-helix	468-492	25
α-helix	497-531	35
α-helix	538-545	8

Chain B: 12 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	306-309	4
α-helix	312-322	11
α-helix	323-328	6
α-helix	339-361	23
α-helix	372-395	24
β-strand	402-405	4	2
β-strand	408-410	3	2
α-helix	412-415	4
α-helix	421-437	17
α-helix	442-455	14
α-helix	458-460	3
α-helix	473-492	20
α-helix	497-531	35
α-helix	538-545	8

Chains C and D: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	689-695	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Estrogen receptor	A	protein	255	Homo sapiens	P03372 (AlphaFold model)
Estrogen receptor	B	protein	255	Homo sapiens	P03372 (AlphaFold model)
Nuclear receptor coactivator 1	C, D	protein	13	Homo sapiens	Q15788 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4MGA_1 Estrogen receptor (chains A)
GSHMKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHM
INWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKC
VEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHR
VLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLS
DLLLEMLDAHRLHAP

Sequence of entity 2 (B), FASTA

>4MGA_2 Estrogen receptor (chains B)
GSHMKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHM
INWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKC
VEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHR
VLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLS
DLLLEMLDAHRLHAP

Sequence of entity 3 (C, D), FASTA

>4MGA_3 Nuclear receptor coactivator 1 (chains C, D)
RHKILHRLLQEGS

Ligands and cofactors

ID	Name	Formula	Copies
27L	4-(2,4,4-trimethylpentan-2-yl)phenol	C14 H22 O	2

Primary citation

Structural and functional profiling of environmental ligands for estrogen receptors. Delfosse, V., Grimaldi, M., Cavailles, V. et al. Environ Health Perspect (2014) 122:1306-1313. DOI 10.1289/ehp.1408453 · PubMed

Other PDB entries of the same protein (UniProt P03372 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7BAA 1.1 Å, Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI
8BZC 1.1 Å, co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ244)
8BZW 1.1 Å, Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210)
8C04 1.1 Å, Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354)
7B9R 1.15 Å, Cys-45-tethered stabilizer 4 of 14-3-3(sigma)/ERa PPI
7B9T 1.15 Å, Cys-45-tethered stabilizer 5 of 14-3-3(sigma)/ERa PPI
7NFW 1.19 Å, Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide
6HMU 1.2 Å, Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C45 mutant bound to…
7BA8 1.2 Å, Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI
8APS 1.2 Å, Small molecular stabilizer for ERalpha and 14-3-3 (1083744)
8BX3 1.2 Å, fragment-linked stabilizer for ERa - 14-3-3 interaction (1074372)
8BXI 1.2 Å, fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)

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