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MolNFT v1 · #18302 · protein

Structure of a C-kit kinase product complex

1PKG · C-kit protein: “Structure of a C-kit kinase product complex”. X-ray diffraction, 2 ligands (ADP, MG), 5 pockets (best druggability 0.70). MolNFT v1 #18302 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1PKG
Type
protein
Length
571 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
C-kit protein
UniProt
P10721
Ligands
ADP, MG
Pockets
5 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AC-kit proteinprotein29238% helix, 18% strandP10721
BC-kit proteinprotein27938% helix, 16% strand—

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11830.700.8831MG, ADP
22170.690.8633MG, ADP
34930.630.7648empty
42020.510.7739empty
51210.430.7626empty

Interfaces

1 interface between chains.

  • A–B · 992 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (phosphorylation).

Compared structures

  • 1PKG · Structure of a c-Kit Kinase Product Complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P10721 · AlphaFold monomer V2.0 prediction for MAST/STEM cell growth factor receptor kit (P10721) · a predicted model of the same protein · chain A against A, TM-score 0.88

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