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MolNFT v1 · #148939 · protein

Crystal structure of ERK2 in complex with an adenosine derivative

6FLE: “Crystal structure of ERK2 in complex with an adenosine derivative”. X-ray diffraction, 2 ligands (DQ2, SO4). MolNFT v1 #148939 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6FLE
Type
protein
Length
340 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P63086
Ligands
DQ2, SO4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein340—P63086

Ligands and binding sites

  • DQ2 · [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A

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

Compared structures

  • 6FLE · Crystal structure of ERK2 in complex with an adenosine derivative · the same entry in another collection · chain A against A, TM-score 1.00
  • P63086 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 1 (P63086) · a predicted model of the same protein · chain A against A, TM-score 0.99

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