3K22: Glucocorticoid receptor

Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide. Determined by X-ray diffraction at 2.1 Å resolution. Released 11 Aug 2010.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,352
Mol. weight: 64.76 kDa
Ligands: JZS, JZR
Released: 11 Aug 2010

Explore 3K22 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3K22 contains 27 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: 13 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	530-531	2
α-helix	532-538	7
α-helix	541-545	5
α-helix	553-554	2
α-helix	556-580	25
α-helix	589-615	27
β-strand	621-624	4	1
β-strand	627-629	3	1
α-helix	631-634	4
α-helix	639-656	18
α-helix	660-671	12
β-strand	674-676	3	2
α-helix	683-703	21
α-helix	708-710	3
α-helix	711-741	31
α-helix	751-766	16
β-strand	769-771	3	2

Chain B: 12 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	525-528	4
α-helix	532-539	8
α-helix	541-544	4
α-helix	553-554	2
α-helix	556-579	24
α-helix	589-613	25
β-strand	621-624	4	3
β-strand	627-629	3	3
α-helix	631-634	4
α-helix	639-656	18
α-helix	660-671	12
β-strand	674-676	3	4
α-helix	683-704	22
α-helix	710-741	32
α-helix	751-766	16
β-strand	769-771	3	4

Chains D and H: 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, B	protein	259	Homo sapiens	P04150 (AlphaFold model)
Transcriptional Intermediary Factor 2	D, H	protein	12		Q15596 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3K22_1 Glucocorticoid receptor (chains A, B)
GSVPATLPQLTPTLVSLLEVIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQVIAAVKWA
KAIPGFRNLHLDDQMTLLQYSWMYLMAFALGWRSYRQSSANLLCFAPDLIINEQRMTLPG
MYDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPKDGLKSQELFDEIRMTYIKELG
KAIVKREGNSSQNWQRFYQLTKLLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAEIIT
NQIPKYSNGNIKKLLFHQK

Sequence of entity 2 (D, H), FASTA

>3K22_2 Transcriptional Intermediary Factor 2 (chains D, H)
KENALLRYLLDK

Ligands and cofactors

ID	Name	Formula	Copies
JZS	N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-…	C22 H21 F6 N5 O3	2
JZR	hexyl beta-D-glucopyranoside	C12 H24 O6	3

Primary citation

Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor. Biggadike, K., Bledsoe, R.K., Coe, D.M. et al. Proc Natl Acad Sci U S A (2009) 106:18114-18119. DOI 10.1073/pnas.0909125106 · 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
5NFP 2.1 Å, Glucocorticoid Receptor in complex with budesonide

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