5NFP: Glucocorticoid Receptor

Glucocorticoid Receptor in complex with budesonide. Determined by X-ray diffraction at 2.1 Å resolution. Released 4 Oct 2017.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,359
Mol. weight: 35.1 kDa
Ligands: CPS, 8W5
Released: 4 Oct 2017

Explore 5NFP in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5NFP 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	556-580	25
α-helix	584-586	3
α-helix	589-615	27
β-strand	621-624	4	1
β-strand	627-629	3	1
α-helix	631-634	4
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

>5NFP_1 Glucocorticoid receptor (chains A)
GSIQQATTGVSQETSENPGDKTIVPATLPQLTPTLVSLLEVIEPEVLYAGYDSSVPDSTW
RIMTTLNMLGGRQMIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMSLMAFALGWRSYRQSS
ANLLCFAPDLIINEQRMTLPDMYDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPK
DGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVVENLLNYCF
QTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK

Sequence of entity 2 (B), FASTA

>5NFP_2 Nuclear receptor coactivator 2 (chains B)
KENALLRYLLDKDD

Ligands and cofactors

ID	Name	Formula	Copies
CPS	3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate	C32 H58 N2 O7 S	1
8W5	(1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxi…	C25 H34 O6	1

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

Primary citation

Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases. Hemmerling, M., Nilsson, S., Edman, K. et al. J Med Chem (2017) 60:8591-8605. DOI 10.1021/acs.jmedchem.7b01215 · 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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