MolNFT v1 · #151278 · protein

Crystal structure of hpxr in complex with dabrafenib

6HJ2 · Nuclear receptor subfamily 1 group I member 2: “Crystal structure of hpxr in complex with dabrafenib”. X-ray diffraction, 1 ligand (P06), 3 pockets (best druggability 0.85). MolNFT v1 #151278 on GenesisL1: 3D structure, binding…

PDB: 6HJ2
Type: protein
Length: 274 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor subfamily 1 group I member 2
UniProt: O75469
Ligands: P06
Pockets: 3 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor subfamily 1 group I member 2	protein	274	59% helix, 8% strand	O75469

Ligands and binding sites

P06 · Dabrafenib · ligand · chains A
IPA · Isopropyl alcohol · additive

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	472	0.85	0.91	43	P06
2	74	0.32	0.74	17	empty
3	50	0.31	0.77	11	empty

Compared structures

6HJ2 · Crystal structure of hPXR in complex with dabrafenib · the same entry in another collection · chain A against A, TM-score 1.00
O75469 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 1 group I member 2… · 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 O75469
Elsewhere: RCSB PDB 6HJ2 · PDBe 6HJ2 · UniProt O75469

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