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Crystal structure of mouse CARM1 in complex with inhibitor U3

Analyse Crystal structure of mouse CARM1 in complex with inhibitor U3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5K8X
Type
protein
Length
1,370 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9WVG6
Ligands
DXE, 6ZH, M2M

Structure

x-ray diffraction · 4 distinct chains.

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

Ligands and binding sites

  • DXE · 1,2-dimethoxyethane · ligand · 6 copies · chains B, C, D
  • 6ZH · [[[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium · ligand · 4 copies · chains A, B, C, D
  • M2M · 1-methoxy-2-(2-methoxyethoxy)ethane · ligand · chains C
  • EDO · 1,2-ethanediol · additive · 14 copies · chains A, B, C, D
  • PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, C
  • PG4 · Tetraethylene glycol · additive · chains A
  • PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol · additive · chains A

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

Compared structures

  • 5K8X · Crystal structure of mouse CARM1 in complex with inhibitor U3 · the same entry in another collection · chain D against D, 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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