GL1X · GenesisL1 explorer

MolNFT v1 · #134659 · protein

Crystal structure of mouse CARM1 in complex with inhibitor LH1452

5TBJ: “Crystal structure of mouse CARM1 in complex with inhibitor LH1452”. X-ray diffraction, 2 ligands (LHD, DXE). MolNFT v1 #134659 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5TBJ
Type
protein
Length
1,371 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9WVG6
Ligands
LHD, DXE

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C—protein343—Q9WVG6
B—protein343—Q9WVG6
D—protein342—Q9WVG6

Ligands and binding sites

  • LHD · 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium · ligand · 4 copies · chains A, B, C, D
  • DXE · 1,2-dimethoxyethane · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 11 copies · chains A, D, B, C
  • PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B, C
  • PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane · additive · chains B

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

Compared structures

  • Q9WVG6 · AlphaFold monomer V2.0 prediction for histone-arginine methyltransferase CARM1 (Q9WVG6) · a predicted model of the same protein · chain A against A, TM-score 1.00

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