Research workbench

Ahr-arnt pas-B heterodimer

Analyse Ahr-arnt pas-B heterodimer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7VNI
Type: protein
Length: 432 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ahr homolog spineless; Aryl hydrocarbon receptor nuclear translocator
UniProt: O61543, P53762
Ligands: SO4
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 4 distinct chains · 27% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Ahr homolog spineless	protein	110	26% helix, 42% strand	O61543
D	Aryl hydrocarbon receptor nuclear translocator	protein	104	28% helix, 41% strand	P53762
A	Ahr homolog spineless	protein	115	30% helix, 40% strand	O61543
C	Aryl hydrocarbon receptor nuclear translocator	protein	103	25% helix, 41% strand	P53762

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains B, D, 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	61	0.73	0.98	23	empty
2	105	0.37	0.75	21	empty
3	73	0.31	0.74	21	SO4

Interfaces

3 interfaces between chains.

B–A · 663 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 608 Å² buried · 3 hydrogen bonds · protein-protein
B–D · 603 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

7VNI · AHR-ARNT PAS-B heterodimer · the same entry in another collection · chain B against B, TM-score 1.00
P53762 · AlphaFold monomer V2.0 prediction for aryl hydrocarbon receptor nuclear translocator… · a predicted model of the same protein · chain C against A, TM-score 0.99

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 O61543
Every structure of UniProt P53762
Elsewhere: RCSB PDB 7VNI · PDBe 7VNI · UniProt O61543 · UniProt P53762

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