4APU: Progesterone receptor

PR X-Ray structures in agonist conformations reveal two different mechanisms for partial agonism in 11beta-substituted steroids. Determined by X-ray diffraction at 1.9 Å resolution. Released 25 Apr 2012.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: HOMO SAPIENS
Chains: 2
Atoms: 4,277
Mol. weight: 60.93 kDa
Ligands: OR8, A2K
Released: 25 Apr 2012

Explore 4APU in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4APU contains 25 α-helices and 8 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: 14 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	686-694	9
α-helix	696-698	3
α-helix	708-710	3
α-helix	711-735	25
α-helix	739-741	3
α-helix	744-771	28
β-strand	776-779	4	1
β-strand	782-784	3	1
α-helix	786-788	3
α-helix	792-801	10
α-helix	803-811	9
α-helix	815-826	12
β-strand	829-830	2	2
α-helix	838-859	22
α-helix	863-896	34
α-helix	898-901	4
α-helix	907-921	15
β-strand	926-927	2	2

Chain B: 11 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	686-694	9
α-helix	711-735	25
α-helix	739-741	3
α-helix	744-771	28
β-strand	776-779	4	3
β-strand	782-784	3	3
α-helix	786-791	6
α-helix	795-811	17
α-helix	815-826	12
β-strand	829-831	3	4
α-helix	838-857	20
α-helix	863-896	34
α-helix	898-901	4
α-helix	907-921	15
β-strand	925-927	3	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Progesterone receptor	A, B	protein	260	HOMO SAPIENS	P06401 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4APU_1 PROGESTERONE RECEPTOR (chains A, B)
GSHMGQDIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWS
KSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESS
FYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQTQFEEMRSSYIRELI
KAIGLRQKGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVI
AAQLPKILAGMVKPLLFHKK

Ligands and cofactors

ID	Name	Formula	Copies
OR8	2-chloro-N-[[4-(3,5-dimethylisoxazol-4-yl)phenyl]methyl]-1,4-dimethyl-1H-pyrazo…	C17 H19 Cl N4 O3 S	1
A2K	(8S,11R,13S,14S,16S,17S)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyri…	C35 H37 N O2	1

Water and common crystallization additives (SO4) are not listed.

Primary citation

X-ray structures of progesterone receptor ligand binding domain in its agonist state reveal differing mechanisms for mixed profiles of 11 beta-substituted steroids. Lusher, S.J., Raaijmakers, H.C., Vu-Pham, D. et al. J Biol Chem (2012) 287:20333-20343. DOI 10.1074/jbc.M111.308403 · PubMed

Other PDB entries of the same protein (UniProt P06401 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1SQN 1.45 Å, Progesterone Receptor Ligand Binding Domain with bound Norethindrone
1SR7 1.46 Å, Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate
3ZR7 1.65 Å, Structural basis for agonism and antagonism for a set of chemically related progesterone…
1A28 1.8 Å, Hormone-bound human progesterone receptor ligand-binding domain
2W8Y 1.8 Å, RU486 bound to the progesterone receptor in a destabilized agonistic conformation
3ZRB 1.8 Å, Structural basis for agonism and antagonism for a set of chemically related progesterone…
3G8O 1.9 Å, Progesterone Receptor with bound Pyrrolidine 1
3ZRA 1.9 Å, Structural basis for agonism and antagonism for a set of chemically related progesterone…
1ZUC 2.0 Å, Progesterone receptor ligand binding domain in complex with the nonsteroidal agonist…
2OVH 2.0 Å, Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor SMRT
3KBA 2.0 Å, Progesterone receptor bound to sulfonamide pyrrolidine partial agonist
4A2J 2.0 Å, PR X-Ray structures in agonist conformations reveal two different mechanisms for partial…

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