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MolNFT v1 · #141324 · protein

Crystal structure of abrin a chain (recombinant) in complex with nicotinamide at 1.7 ångströms

5Z3J · Abrin a-chain: “Crystal structure of abrin a chain (recombinant) in complex with nicotinamide at 1.7 ångströms”. X-ray diffraction, 1 ligand (NCA), 1 pocket (best druggability 0.41). MolNFT v1 #141324 on GenesisL1: 3D structure…

PDB
5Z3J
Type
protein
Length
246 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Abrin a-chain
UniProt
Q7DM12
Ligands
NCA
Pockets
1 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAbrin a-chainprotein24643% helix, 26% strandQ7DM12

Ligands and binding sites

  • NCA · Nicotinamide · ligand · chains A
  • IMD · Imidazole · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1670.410.8017NCA

Compared structures

  • 5Z3J · Crystal Structure of Abrin A chain (Recombinant) in complex with Nicotinamide at 1.7… · the same entry in another collection · chain A against A, TM-score 1.00

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