GL1X · GenesisL1 explorer

MolNFT v1 · #63555 · protein

Crystal structure of onconase C87A/C104A-onc

3FD7 · Protein P-30: “Crystal structure of onconase C87A/C104A-onc”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.67). MolNFT v1 #63555 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3FD7
Type
protein
Length
206 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein P-30
EC
3.1.27.-
UniProt
P22069
Ligands
SO4
Pockets
1 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProtein P-30 (EC 3.1.27.-)protein10319% helix, 41% strandP22069

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 7 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B
  • EDO · 1,2-ethanediol · 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
17250.670.7564SO4, GOL

Interfaces

1 interface between chains.

  • A–B · 455 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 2 modified (disulfide, cyclization).

Compared structures

  • 3FD7 · Crystal structure of Onconase C87A/C104A-ONC · the same entry in another collection · chain A against A, TM-score 1.00
  • P22069 · AlphaFold monomer V2.0 prediction for protein P-30 (P22069) · a predicted model of the same protein · chain A against A, TM-score 0.96

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