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Pim-1 kinase in complex with a selective N-substituted 7-azaindole inhibitor

Analyse Pim-1 kinase in complex with a selective N-substituted 7-azaindole inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KCX
Type
protein
Length
272 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SERINE/THREONINE-protein kinase pim-1
EC
2.7.11.1
UniProt
P11309
Ligands
6S3
Pockets
1 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1)protein27238% helix, 24% strandP11309

Ligands and binding sites

  • 6S3 · 4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl) phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide · ligand · chains A
  • IMD · Imidazole · additive · chains A
  • ACT · Acetate ion · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13350.670.81506S3

Compared structures

  • 5KCX · Pim-1 kinase in Complex with a Selective N-substituted 7-azaindole Inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

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