MolNFT v1 · #125383 · protein

Mcr in complex with ligand

5L7E · Mineralocorticoid receptor: “Mcr in complex with ligand”. X-ray diffraction, 2 ligands (6Q0, SO4), 3 pockets (best druggability 0.83). MolNFT v1 #125383 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5L7E
Type: protein
Length: 253 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mineralocorticoid receptor; NCOA1 peptide
UniProt: P08235
Ligands: 6Q0, SO4
Pockets: 3 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mineralocorticoid receptor	protein	243	68% helix, 5% strand	P08235
B	NCOA1 peptide	protein	10	70% helix, 0% strand	—

Ligands and binding sites

6Q0 · ~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl) phenyl]methyl]benzenesulfonamide · ligand · chains A
SO4 · Sulfate ion · ion · chains A
EDO · 1,2-ethanediol · additive · 2 copies · chains A
NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	158	0.83	0.98	23	6Q0
2	138	0.68	0.89	20	MPD
3	99	0.48	0.81	23	empty

Interfaces

1 interface between chains.

A–B · 523 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5L7E · MCR IN COMPLEX WITH ligand · the same entry in another collection · chain A against A, TM-score 1.00
P08235 · AlphaFold monomer V2.0 prediction for mineralocorticoid receptor (P08235) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P08235
Elsewhere: RCSB PDB 5L7E · PDBe 5L7E · UniProt P08235

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