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MolNFT v1 · #186588 · protein

Human pxr lbd bound to GSK001

7RIV · Isoform 1C of nuclear receptor subfamily 1 group I member 2: “Human pxr lbd bound to GSK001”. X-ray diffraction, 1 ligand (P06), 2 pockets (best druggability 0.85). MolNFT v1 #186588 on GenesisL1: 3D structure, binding sites and…

PDB
7RIV
Type
protein
Length
270 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Isoform 1C of nuclear receptor subfamily 1 group I member 2
UniProt
O75469
Ligands
P06
Pockets
2 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIsoform 1C of nuclear receptor subfamily 1 group I member 2protein27061% helix, 8% strandO75469

Ligands and binding sites

  • P06 · Dabrafenib · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15050.850.9145P06
2880.350.7416empty

Compared structures

  • 7RIV · human PXR LBD bound to GSK001 · 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 0.99

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