MolNFT v1 · #82285 · protein

Mineralocorticoid receptor ligand-binding domain with spironolactone

3VHU: “Mineralocorticoid receptor ligand-binding domain with spironolactone”. X-ray diffraction, 1 ligand (SNL), 4 pockets (best druggability 0.85). MolNFT v1 #82285 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3VHU
Type: protein
Length: 249 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mineralocorticoid receptor
UniProt: P08235
Ligands: SNL
Pockets: 4 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mineralocorticoid receptor	protein	249	69% helix, 5% strand	P08235

Ligands and binding sites

SNL · Spironolactone · ligand · chains A

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

Pockets

4 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	192	0.85	0.98	25	SNL
2	117	0.72	0.92	19	empty
3	89	0.47	0.81	17	empty
4	76	0.34	0.75	16	empty

Compared structures

3VHU · Mineralocorticoid receptor ligand-binding domain with spironolactone · 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 0.98

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 3VHU · PDBe 3VHU · UniProt P08235

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