6GG8: Mineralocorticoid receptor

Mineralocorticoid receptor in complex with (s)-13. Determined by X-ray diffraction at 1.8 Å resolution. Released 9 Jan 2019.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,341
Mol. weight: 37.07 kDa
Ligands: EY8
Released: 9 Jan 2019

Explore 6GG8 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6GG8 contains 12 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: 11 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	738-744	7
α-helix	746-751	6
α-helix	762-785	24
α-helix	790-792	3
α-helix	795-822	28
β-strand	827-830	4	1
β-strand	833-835	3	1
α-helix	837-842	6
α-helix	846-862	17
α-helix	866-877	12
β-strand	880-882	3	2
α-helix	889-907	19
α-helix	918-947	30
α-helix	958-972	15
β-strand	976-978	3	2

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	1434-1440	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Mineralocorticoid receptor	A	protein	305	Homo sapiens	P08235 (AlphaFold model)
Nuclear receptor coactivator 1	B	protein	15	Homo sapiens	Q15788 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6GG8_1 Mineralocorticoid receptor (chains A)
MHNHNHNHNHNHNGGENLYFQGTPSPVMVLENIEPEIVYAGYDSSKPDTAENLLSTLNRL
AGKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMSLSSFALSWRSYKHTNSQFLYFAPD
LVFNEEKMHQSAMYELCQGMHQISLQFVRLQLTFEEYTIMKVLLLLSTIPKDGLKSQAAF
EEMRTNYIKELRKMVTKSPNNSGQSWQRFYQLTKLLDSMHDLVSDLLEFCFYTFRESHAL
KVEFPAMLVEIISDQLPKVESGNAKPLYFHRKGGSLVPRGSGGGSGGSGGPQAQQKSLLQ
QLLTE

Sequence of entity 2 (B), FASTA

>6GG8_2 Nuclear receptor coactivator 1 (chains B)
PQAQQKSLLQQLLTE

Ligands and cofactors

ID	Name	Formula	Copies
EY8	[(3~{R})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,…	C18 H16 F N3 O6 S	1

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

Primary citation

Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. Granberg, K.L., Yuan, Z.Q., Lindmark, B. et al. J Med Chem (2019) 62:1385-1406. DOI 10.1021/acs.jmedchem.8b01523 · PubMed

Other PDB entries of the same protein (UniProt P08235 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4PF3 1.1 Å, Mineralocorticoid receptor ligand-binding domain with compuond 37a
3VHV 1.35 Å, Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist
3WFG 1.4 Å, Mineralocorticoid receptor ligand-binding domain with compuond 2e
9GC7 1.46 Å, Mineralocorticoid receptor in complex with acylurea antagonists.
6GEV 1.54 Å, Mineralocorticoid receptor in complex with (s)-13
6GGG 1.71 Å, Mineralocorticoid receptor in complex with (s)-13
2AAX 1.75 Å, Mineralocorticoid Receptor Double Mutant with Bound Cortisone
5MWY 1.75 Å, The structure of MR in complex with eplerenone.
5MWP 1.82 Å, The structure of MR in complex with AZD9977.
5L7H 1.84 Å, MCR IN COMPLEX WITH ligand
2AB2 1.85 Å, Mineralocorticoid Receptor Double Mutant with Bound Spironolactone
5L7E 1.86 Å, MCR IN COMPLEX WITH ligand

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