8VKZ: Glucocorticoid Receptor

Crystal structure of Glucocorticoid Receptor in complex with an inhibitor. Determined by X-ray diffraction at 2.13 Å resolution. Released 24 Jan 2024.

Method: X-ray diffraction
Resolution: 2.13 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,244
Mol. weight: 63.14 kDa
Ligands: A1ACE
Released: 24 Jan 2024

Explore 8VKZ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8VKZ contains 21 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: 10 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	531-539	9
α-helix	540-545	6
α-helix	554-578	25
α-helix	584-586	3
α-helix	589-613	25
β-strand	620-624	5	1
β-strand	627-630	4	1
α-helix	640-655	16
α-helix	660-671	12
β-strand	674-676	3	2
α-helix	683-701	19
α-helix	712-741	30
α-helix	751-765	15
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	589-613	25
β-strand	620-624	5	3
β-strand	627-630	4	3
α-helix	640-655	16
α-helix	660-671	12
β-strand	674-676	3	4
α-helix	683-701	19
α-helix	711-741	31
α-helix	751-765	15
β-strand	769-771	3	4

Chain D: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	9-15	7

Chain E: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	10-17	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Glucocorticoid receptor	A, B	protein	252	Homo sapiens	P04150 (AlphaFold model)
Nuclear receptor coactivator 2	D, E	protein	14	Homo sapiens	Q15596 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>8VKZ_1 Glucocorticoid receptor (chains A, B)
GSLTPTLVSLLEVIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQMIAAVKWAKAIPGFR
NLHLDDQMTLLQYSWMSLMAFALGWRSYRQSSANLLCFAPDLIINEQRMTLPDMYDQCKH
MLYVSSELHRLQVSYEEYLCMKTLLLLSSVPKDGLKSQELFDEIRMTYIKELGKAIVKRE
GNSSQNWQRFYQLTKLLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAEIITNQIPKYS
NGNIKKLLFHQK

Sequence of entity 2 (D, E), FASTA

>8VKZ_2 Nuclear receptor coactivator 2 (chains D, E)
KENALLRYLLDKDD

Ligands and cofactors

ID	Name	Formula	Copies
A1ACE	(4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hyd…	C35 H39 N O6	2

Primary citation

Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties. Hobson, A.D., Zhu, H., Qiu, W. et al. RSC Med Chem (2024) 15:832-838. DOI 10.1039/d3md00540b · 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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