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MolNFT v1 · #134657 · protein

Crystal structure of mouse CARM1 in complex with inhibitor LH1236

5TBH: “Crystal structure of mouse CARM1 in complex with inhibitor LH1236”. X-ray diffraction, 2 ligands (78K, M2M). MolNFT v1 #134657 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5TBH
Type
protein
Length
1,372 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9WVG6
Ligands
78K, M2M

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C—protein344—Q9WVG6
B—protein343—Q9WVG6
D—protein341—Q9WVG6

Ligands and binding sites

  • 78K · (2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid · ligand · 2 copies · chains B, D
  • M2M · 1-methoxy-2-(2-methoxyethoxy)ethane · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 17 copies · chains A, B, C, D
  • PG4 · Tetraethylene glycol · additive · chains A, D

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

Compared structures

  • 5TBH · Crystal structure of mouse CARM1 in complex with inhibitor LH1236 · the same entry in another collection · chain B against B, TM-score 1.00
  • 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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