6NWL: Glucocorticoid receptor

Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with hydrocortisone and PGC1a coregulator fragment. Determined by X-ray diffraction at 1.59 Å resolution. Released 23 Oct 2019.

Method: X-ray diffraction
Resolution: 1.59 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,397
Mol. weight: 31.19 kDa
Ligands: SCN, TLA, HCY
Released: 23 Oct 2019

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

Secondary structure: helices and β-sheets

6NWL 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	1-8	8
α-helix	9-14	6
α-helix	25-49	25
α-helix	53-55	3
α-helix	58-85	28
β-strand	90-93	4	1
β-strand	96-98	3	1
α-helix	102-104	3
α-helix	109-125	17
α-helix	129-140	12
β-strand	143-145	3	2
α-helix	152-172	21
α-helix	180-197	18
α-helix	199-210	12
α-helix	212-214	3
α-helix	220-234	15
β-strand	238-240	3	2

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	143-149	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
glucocorticoid receptor	A	protein	249	Homo sapiens
Peroxisome proliferator-activated receptor gamma coactivator 1-alpha	B	protein	12	Homo sapiens	Q9UBK2 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6NWL_1 glucocorticoid receptor (chains A)
FPTLISLLEVIEPEVLYSGYDSTLPDTSTRLMSTLNRLGGRQVVSAVKWAKALPGFRNLH
LDDQMTLLQYSWMSLMAFSLGWRSYKQSNGNMLCFAPDLVINEERMQLPYMYDQCQQMLK
ISSEFVRLQVSYDEYLCMKVLLLLSTVPKDGLKSQAVFDEIRMTYIKELGKAIVKREGNS
SQNWQRFYQLTKLLDSMHEMVGGLLQFCFYTFVNKSLSVEFPEMLAEIISNQLPKFKAGS
VKPLLFHQK

Sequence of entity 2 (B), FASTA

>6NWL_2 Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (chains B)
PSLLKKLLLAPA

Ligands and cofactors

ID	Name	Formula	Copies
SCN	Thiocyanate ion	C N S	2
TLA	L(+)-tartaric acid	C4 H6 O6	1
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione	C21 H30 O5	1

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

Primary citation

First High-Resolution Crystal Structures of the Glucocorticoid Receptor Ligand-Binding Domain-Peroxisome Proliferator-ActivatedgammaCoactivator 1-alphaComplex with Endogenous and Synthetic Glucocorticoids. Liu, X., Wang, Y., Ortlund, E.A. Mol Pharmacol (2019) 96:408-417. DOI 10.1124/mol.119.116806 · PubMed

Other PDB entries of the same protein (UniProt Q9UBK2 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9F7W 1.25 Å, Human PPARgamma ligand binding domain in complex with co-activator 1alpha peptide and…
8BF1 1.36 Å, High-resolution structure of unliganded PPAR gamma in complex with the peptide PGC-1 alpha
6MS7 1.43 Å, Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a…
6W9L 1.45 Å, Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex…
9IWO 1.49 Å, X-ray structure of human PPARalpha ligand binding domain-GW7647-PGC1alpha coactivator…
3U9Q 1.52 Å, Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
8YT9 1.59 Å, Human PPAR alpha ligand binding domain in complex with a…
9IWN 1.59 Å, X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli…
3B1M 1.6 Å, Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative…
3V9V 1.6 Å, Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative…
6W9K 1.6 Å, Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex…
9F7X 1.63 Å, Human PPARgamma ligand binding domain in complex with co-activator 1alpha peptide and…

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