6GGG: Mineralocorticoid receptor

Mineralocorticoid receptor in complex with (s)-13. Determined by X-ray diffraction at 1.71 Å resolution. Released 9 Jan 2019.

Method: X-ray diffraction
Resolution: 1.71 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,296
Mol. weight: 37.05 kDa
Ligands: EYN
Released: 9 Jan 2019

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

Secondary structure: helices and β-sheets

6GGG 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: 10 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	762-785	24
α-helix	795-822	28
β-strand	827-830	4	1
β-strand	833-835	3	1
α-helix	837-839	3
α-helix	843-862	20
α-helix	866-877	12
β-strand	880-881	2	2
α-helix	889-909	21
α-helix	911-913	3
α-helix	917-947	31
α-helix	949-952	4
α-helix	958-972	15
β-strand	977-978	2	2

Chain B: 2 helices, 0 β-strands

Element	Residues	Length	Sheet
α-helix	1431-1433	3
α-helix	1434-1440	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Mineralocorticoid receptor	A	protein	305	Homo sapiens	P08235 (AlphaFold model)
NCOA1 peptide	B	protein	15	Homo sapiens

Sequence of entity 1 (A), FASTA

>6GGG_1 Mineralocorticoid receptor (chains A)
MHNHNHNHNHNHNGGENLYFQGTPSPVMVLENIEPEIVYAGYDSSKPDTAENLLSTLNRL
AGKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMSLLSFALSWRSYKHTNSQFLYFAPD
LVFNEEKMHQSAMYELCQGMHQISLQFVRLQLTFEEYTIMKVLLLLSTIPKDGLKSQAAF
EEMRTNYIKELRKMVTKSPNNSGQSWQRFYQLTKLLDSMHDLVSDLLEFCFYTFRESHAL
KVEFPAMLVEIISDQLPKVESGNAKPLYFHRKGGSLVPRGSGGGSGGSGGPQAQQKSLLQ
QLLTE

Sequence of entity 2 (B), FASTA

>6GGG_2 NCOA1 peptide (chains B)
PQAQQKSLLQQLLTE

Ligands and cofactors

ID	Name	Formula	Copies
EYN	2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxa…	C24 H26 F N3 O5	1

Water and common crystallization additives (CL) 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
2AAX 1.75 Å, Mineralocorticoid Receptor Double Mutant with Bound Cortisone
5MWY 1.75 Å, The structure of MR in complex with eplerenone.
6GG8 1.8 Å, Mineralocorticoid receptor in complex with (s)-13
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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