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MolNFT v1 · #48125 · protein

Ricin a-chain (recombinant) complex with N-methylurea

2PJO · Ricin (ec 3.2.2.22): “Ricin a-chain (recombinant) complex with N-methylurea”. X-ray diffraction, 2 ligands (NMU, SO4), 1 pocket (best druggability 0.62). MolNFT v1 #48125 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2PJO
Type
protein
Length
258 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ricin (ec 3.2.2.22)
EC
3.2.2.22
UniProt
P02879
Ligands
NMU, SO4
Pockets
1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARicin (ec 3.2.2.22) (EC 3.2.2.22)protein25841% helix, 23% strandP02879

Ligands and binding sites

  • NMU · N-methylurea · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · 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
12980.620.7941NMU

Compared structures

  • 2PJO · Ricin a-chain (recombinant) complex with n-methylurea · the same entry in another collection · chain A against A, TM-score 1.00

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