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MolNFT v1 · #51594 · protein

Ricin a-chain (recombinant) E177D mutant with a bound acetate

2VC3 · Ricin a chain: “Ricin a-chain (recombinant) E177D mutant with a bound acetate”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.56). MolNFT v1 #51594 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2VC3
Type
protein
Length
263 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ricin a chain
EC
3.2.2.22
UniProt
P02879
Ligands
SO4
Pockets
3 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARicin a chain (EC 3.2.2.22)protein26341% helix, 22% strandP02879

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • ACT · Acetate ion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11210.560.8324empty
2590.390.7912empty
3610.380.7918ACT

Compared structures

  • 2VC3 · Ricin A-Chain (Recombinant) E177D Mutant with a bound acetate · the same entry in another collection · chain A against A, TM-score 1.00

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