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MolNFT v1 · #170867 · protein

Biochemical, cellular and structural characterization of novel ERK3 inhibitors

6YLC: “Biochemical, cellular and structural characterization of novel ERK3 inhibitors”. X-ray diffraction, 1 ligand (OXW). MolNFT v1 #170867 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6YLC
Type
protein
Length
1,157 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q16659
Ligands
OXW

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein282—Q16659
B—protein292—Q16659
C—protein280—Q16659
D—protein303—Q16659

Ligands and binding sites

  • OXW · 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile · ligand · 4 copies · chains A, C, B, D

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

Compared structures

  • 6YLC · Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors · the same entry in another collection · chain D against D, TM-score 1.00
  • Q16659 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 6 (Q16659) · a predicted model of the same protein · chain A against A, TM-score 0.96

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