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MolNFT v1 · #140667 · protein

Crystal structure of drosophila numb ptb domain and pon peptide complex

5YI7 · Protein numb: “Crystal structure of drosophila numb ptb domain and pon peptide complex”. X-ray diffraction, 1 pocket (best druggability 0.39). MolNFT v1 #140667 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5YI7
Type
protein
Length
293 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein numb; Pon peptide from partner of numb
UniProt
P16554, Q9W4I7
Pockets
1 · best druggability 0.39

Structure

x-ray diffraction · 3 distinct chains · 29% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein numbprotein12830% helix, 42% strandP16554
B, DPon peptide from partner of numbprotein170% helix, 12% strandQ9W4I7
CProtein numbprotein13132% helix, 41% strandP16554

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains A, C

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.390.7423empty

Interfaces

4 interfaces between chains.

  • C–D · 548 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 544 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 167 Ų buried · 1 hydrogen bond · protein-protein
  • A–D · 110 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 5YI7 · Crystal structure of drosophila Numb PTB domain and Pon peptide complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P16554 · AlphaFold monomer V2.0 prediction for protein numb (P16554) · a predicted model of the same protein · chain A against A, TM-score 0.99

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