MolNFT v1 · #125386 · protein

Mcr in complex with ligand

5L7H · Mineralocorticoid receptor: “Mcr in complex with ligand”. X-ray diffraction, 1 ligand (6QG), 3 pockets (best druggability 0.85). MolNFT v1 #125386 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5L7H
Type: protein
Length: 259 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mineralocorticoid receptor; NCOA1 peptide
UniProt: P08235
Ligands: 6QG
Pockets: 3 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mineralocorticoid receptor	protein	249	67% helix, 5% strand	P08235
B	NCOA1 peptide	protein	10	70% helix, 0% strand	—

Ligands and binding sites

6QG · 3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9, 11,13(25),20,23-octaene-17,17-dione · ligand · chains A
NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · 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	207	0.85	0.98	26	6QG
2	132	0.65	0.87	20	empty
3	88	0.46	0.80	17	empty

Interfaces

1 interface between chains.

A–B · 512 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

5L7H · 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 0.98

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 5L7H · PDBe 5L7H · UniProt P08235

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