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MolNFT v1 · #189387 · protein

The structure of cyclin-dependent kinase 5 (CDK5) in complex with P25 and compound 13

7VDR: “The structure of cyclin-dependent kinase 5 (CDK5) in complex with P25 and compound 13”. X-ray diffraction, 1 ligand (63I). MolNFT v1 #189387 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7VDR
Type
protein
Length
849 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q00535, Q15078
Ligands
63I

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein290—Q00535
B—protein275—Q00535
C—protein148—Q15078
D—protein136—Q15078

Ligands and binding sites

  • 63I · (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1, 6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol · ligand · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 9 copies · chains A, C
  • PGE · Triethylene glycol · additive · chains A

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

Compared structures

  • 7VDR · The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q15078 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 5 activator 1 (Q15078) · a predicted model of the same protein · chain C against A, TM-score 1.00
  • Q00535 · AlphaFold monomer V2.0 prediction for cyclin-dependent-like kinase 5 (Q00535) · a predicted model of the same protein · chain B against A, TM-score 0.98

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