MolNFT v1 · #102892 · protein

Crystal structure of the ligand binding domains of the bovicola ovis ecdysone receptor ECR/USP heterodimer (pona crystal)

4OZT: “Crystal structure of the ligand binding domains of the bovicola ovis ecdysone receptor ECR/USP heterodimer…”. X-ray diffraction, 2 ligands (P1A, NEQ), 7 pockets (best druggability 0.83). MolNFT v1 #102892 on GenesisL1: 3D structure…

PDB: 4OZT
Type: protein
Length: 433 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ecdysone receptor; Retinoid X receptor
UniProt: E0VVT4, E0VFQ5
Ligands: P1A, NEQ
Pockets: 7 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E	Ecdysone receptor	protein	238	67% helix, 3% strand	E0VVT4
U	Retinoid X receptor	protein	195	65% helix, 4% strand	E0VFQ5

Ligands and binding sites

P1A · 2,3,14,20,22-pentahydroxycholest-7-en-6-one · ligand · chains E
NEQ · N-ethylmaleimide · ligand · chains U

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	274	0.83	0.94	33	P1A
2	392	0.65	0.79	37	empty
3	260	0.57	0.78	22	empty
4	140	0.57	0.83	39	empty
5	58	0.44	0.83	18	empty

Interfaces

1 interface between chains.

E–U · 1204 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

4OZT · crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor… · the same entry in another collection · chain E against E, TM-score 1.00

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 E0VVT4
Every structure of UniProt E0VFQ5
Elsewhere: RCSB PDB 4OZT · PDBe 4OZT · UniProt E0VVT4 · UniProt E0VFQ5

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