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MolNFT v1 · #184012 · protein

Crystal structure of pseudokinase cask in complex with compound 7

7OAJ: “Crystal structure of pseudokinase cask in complex with compound 7”. X-ray diffraction, 1 ligand (V6E). MolNFT v1 #184012 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7OAJ
Type
protein
Length
1,189 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O14936
Ligands
V6E

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein298—O14936
B, C, D—protein297—O14936

Ligands and binding sites

  • V6E · 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl) methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl) propyl]pyrimidine-5-carboxamide · ligand · 4 copies · chains A, B, C, D
  • EDO · 1,2-ethanediol · additive · 22 copies · chains A, B, C, D

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

Compared structures

  • 7OAJ · Crystal structure of pseudokinase CASK in complex with compound 7 · the same entry in another collection · chain D against D, TM-score 1.00
  • O14936 · AlphaFold monomer V2.0 prediction for peripheral plasma membrane protein cask (O14936) · a predicted model of the same protein · chain C against A, TM-score 0.99

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