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Crystal structure of the heterodimeric hif-3A:ARNT complex with oleoylethanolamide (oea)

Analyse Crystal structure of the heterodimeric hif-3A:ARNT complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7V7W
Type: protein
Length: 567 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aryl hydrocarbon receptor nuclear translocator; Hypoxia-inducible factor 3-alpha
UniProt: P53762, Q0VBL6
Ligands: 5YM
Pockets: 6 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aryl hydrocarbon receptor nuclear translocator	protein	279	33% helix, 32% strand	P53762
B	Hypoxia-inducible factor 3-alpha	protein	288	37% helix, 30% strand	Q0VBL6

Ligands and binding sites

5YM · (Z)-N-(2-hydroxyethyl)octadec-9-enamide · ligand · chains B

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

Pockets

6 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	388	0.71	0.82	50	5YM
2	160	0.68	0.88	21	empty
3	254	0.59	0.79	41	empty
4	241	0.52	0.76	40	empty
5	68	0.49	0.84	17	empty

Interfaces

1 interface between chains.

A–B · 4343 Å² buried · 37 hydrogen bonds · protein-protein

Compared structures

7V7W · Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex with oleoylethanolamide (OEA) · the same entry in another collection · chain A against A, TM-score 1.00
Q0VBL6 · AlphaFold monomer V2.0 prediction for hypoxia-inducible factor 3-alpha (Q0VBL6) · a predicted model of the same protein · chain B against A, TM-score 0.96
P53762 · AlphaFold monomer V2.0 prediction for aryl hydrocarbon receptor nuclear translocator… · a predicted model of the same protein · chain A against A, TM-score 0.84

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 P53762
Every structure of UniProt Q0VBL6
Elsewhere: RCSB PDB 7V7W · PDBe 7V7W · UniProt P53762 · UniProt Q0VBL6

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