6EL9: Glucocorticoid Receptor

Glucocorticoid Receptor in complex with AZD9567. Determined by X-ray diffraction at 2.19 Å resolution. Released 21 Feb 2018.

Method: X-ray diffraction
Resolution: 2.19 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,218
Mol. weight: 34.3 kDa
Ligands: B9W
Released: 21 Feb 2018

Explore 6EL9 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6EL9 contains 14 α-helices and 4 β-strands across 2 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: 13 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	532-538	7
α-helix	540-543	4
α-helix	553-554	2
α-helix	556-579	24
α-helix	584-586	3
α-helix	589-615	27
β-strand	621-624	4	1
β-strand	627-629	3	1
α-helix	633-635	3
α-helix	639-655	17
α-helix	660-671	12
β-strand	674-675	2	2
α-helix	683-702	20
α-helix	708-741	34
α-helix	743-745	3
α-helix	751-765	15
β-strand	770-771	2	2

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	743-750	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Glucocorticoid receptor	A	protein	280	Homo sapiens	P04150 (AlphaFold model)
Nuclear receptor coactivator 2	B	protein	14	Homo sapiens	Q15596 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6EL9_1 Glucocorticoid receptor (chains A)
GSIQQATTGVSQETSENPGDKTIVPATLPQLTPTLVSLLEVIEPEVLYAGYDSSVPDSTW
RIMTTLNMLGGRQMIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMSLMAFALGWRSYRQSS
ANLLCFAPDLIINEQRMTLPDMYDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPK
DGLKSQALFDEIRMTYIKELGKAIVKREGNSSQNSQRFYQLTKLLDSMHEVVENLLNYCF
QTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK

Sequence of entity 2 (B), FASTA

>6EL9_2 Nuclear receptor coactivator 2 (chains B)
KENALLRYLLDKDD

Ligands and cofactors

ID	Name	Formula	Copies
B9W	2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-…	C27 H28 F2 N4 O3	1

Water and common crystallization additives (EDO) are not listed.

Primary citation

Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile. Ripa, L., Edman, K., Dearman, M. et al. J Med Chem (2018) 61:1785-1799. DOI 10.1021/acs.jmedchem.7b01690 · PubMed

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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