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MolNFT v1 · #172983 · protein

Crystal structure of CHK1 kinase domain in complex with a claspin phosphopeptide

7AKO: “Crystal structure of CHK1 kinase domain in complex with a claspin phosphopeptide”. X-ray diffraction, 2 ligands (STU, ZN). MolNFT v1 #172983 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7AKO
Type
protein
Length
561 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O14757, Q9HAW4
Ligands
STU, ZN

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein270—O14757
B—protein271—O14757
C—protein10—Q9HAW4
D—protein10—Q9HAW4

Ligands and binding sites

  • STU · Staurosporine · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · chains A, C
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A, B

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

Compared structures

  • 7AKO · Crystal structure of CHK1 kinase domain in complex with a CLASPIN phosphopeptide · the same entry in another collection · chain A against A, TM-score 1.00
  • O14757 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase CHK1 (O14757) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • 2C3K · Identification of a buried pocket for potent and selective inhibition of CHK1: prediction… · a predicted model of the same protein · chain B against A, TM-score 0.95
  • 2C3L · Identification of a buried pocket for potent and selective inhibition of CHK1: prediction… · a predicted model of the same protein · chain B against A, TM-score 0.94
  • 2C3J · Identification of a buried pocket for potent and selective inhibition of CHK1: prediction… · a predicted model of the same protein · chain B against A, TM-score 0.94

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