4MDD: Glucocorticoid Receptor

Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12. Determined by X-ray diffraction at 2.4 Å resolution. Released 3 Dec 2014.

Method: X-ray diffraction
Resolution: 2.4 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,141
Mol. weight: 63.62 kDa
Ligands: 29M
Released: 3 Dec 2014

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

Secondary structure: helices and β-sheets

4MDD contains 23 α-helices and 8 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: 12 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	532-539	8
α-helix	540-545	6
α-helix	554-579	26
α-helix	584-586	3
α-helix	589-616	28
β-strand	621-624	4	1
β-strand	627-629	3	1
α-helix	637-655	19
α-helix	660-671	12
β-strand	674-676	3	2
α-helix	683-702	20
α-helix	708-740	33
α-helix	741-745	5
α-helix	746-748	3
α-helix	753-759	7
β-strand	769-771	3	2

Chain B: 9 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	532-539	8
α-helix	540-545	6
α-helix	554-579	26
α-helix	589-616	28
β-strand	621-624	4	3
β-strand	627-629	3	3
α-helix	631-633	3
α-helix	637-656	20
α-helix	660-671	12
β-strand	674-676	3	4
α-helix	683-702	20
α-helix	708-740	33
β-strand	769-771	3	4

Chain C: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	2-12	11

Chain D: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	3-12	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Glucocorticoid receptor	A, B	protein	258	Homo sapiens	P04150 (AlphaFold model)
Nuclear receptor corepressor 1	C, D	protein	15	Homo sapiens	O75376 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4MDD_1 Glucocorticoid receptor (chains A, B)
SSPATSPQSTPTLVSALETIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQVIAAVKWAK
AIPGFRNLHLDDQMTLLQYSWMYLMAFALGWRSYRQSSANLLCFAPDLIINEQRMTLPDM
YDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPKDGLKSQALFDAIRMTYIKELGK
AIVKREGNSSQNSQRFYQLTKLLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAEIITN
QIPKYSNGNIKKLLFHQK

Sequence of entity 2 (C, D), FASTA

>4MDD_2 Nuclear receptor corepressor 1 (chains C, D)
NLGLEDIIRKALMGS

Ligands and cofactors

ID	Name	Formula	Copies
29M	N-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)…	C28 H32 F N3 O3 S	2

Primary citation

Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12. Luz, J.G., Coghlan, M.J. To be published.

Other PDB entries of the same protein (UniProt P04150 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4UDD 1.8 Å, GR in complex with desisobutyrylciclesonide
5E69 1.85 Å, Glucocorticoid receptor DNA binding domain - IL8 NF-kB response element complex
4HN5 1.9 Å, GR DNA Binding Domain - TSLP nGRE Complex
4P6W 1.95 Å, Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding…
8A9G 1.96 Å, Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by…
5CBY 2.0 Å, AncGR2 DNA Binding Domain - (+)GRE Complex
5CBX 2.0 Å, AncGR DNA Binding Domain - (+)GRE Complex
6X6E 2.0 Å, Glucocorticoid Receptor DNA binding domain in complex with methylated precursor for a…
5UC3 2.01 Å, Structure of the dominant negative mutant Glucocorticoid Receptor alpha (L733K/N734P)…
6YMO 2.02 Å, Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pS617 peptide
6YO8 2.09 Å, Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 peptide
3K22 2.1 Å, Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide

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