MolNFT v1 · #107541 · protein

Mr in complex with desisobutyrylciclesonide

4UDB · Mineralocorticoid receptor: “Mr in complex with desisobutyrylciclesonide”. X-ray diffraction, 2 ligands (CV7, SO4), 4 pockets (best druggability 0.86). MolNFT v1 #107541 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4UDB
Type: protein
Length: 256 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mineralocorticoid receptor; Nuclear receptor coactivator 1
EC: 2.3.1.48
UniProt: P08235, Q15788
Ligands: CV7, SO4
Pockets: 4 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 70% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mineralocorticoid receptor	protein	244	70% helix, 5% strand	P08235
B	Nuclear receptor coactivator 1 (EC 2.3.1.48)	protein	12	58% helix, 0% strand	Q15788

Ligands and binding sites

CV7 · Desisobuytyryl ciclesonide · ligand · chains A
SO4 · Sulfate ion · ion · chains A
DMS · Dimethyl sulfoxide · additive · chains A
GOL · Glycerol · additive · 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	254	0.86	0.97	27	CV7
2	130	0.62	0.85	19	empty
3	101	0.50	0.82	22	SO4
4	62	0.30	0.74	13	empty

Interfaces

1 interface between chains.

A–B · 547 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4UDB · MR in complex with desisobutyrylciclesonide · 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 0.97

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
Every structure of UniProt Q15788
Elsewhere: RCSB PDB 4UDB · PDBe 4UDB · UniProt P08235 · UniProt Q15788

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