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MolNFT v1 · #58406 · protein

Crystal structure of E. COLI aminopeptidase N in complex with arginine

3B2P: “Crystal structure of E. COLI aminopeptidase N in complex with arginine”. X-ray diffraction, 3 ligands (ARG, NA, ZN), 8 pockets (best druggability 0.86). MolNFT v1 #58406 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3B2P
Type
protein
Length
866 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aminopeptidase N
EC
3.4.11.2
UniProt
P04825
Ligands
ARG, NA, ZN
Pockets
8 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAminopeptidase N (EC 3.4.11.2)protein86645% helix, 22% strandP04825

Ligands and binding sites

  • ARG · Arginine · ligand · chains A
  • NA · Sodium ion · metal · 2 copies · chains A
  • ZN · Zinc ion · metal · chains A
  • GOL · Glycerol · additive · 11 copies · chains A
  • MLI · Malonate ion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110710.860.87132ARG, MLI, GOL
24540.730.8257GOL
36280.680.7758empty
41090.450.7926empty
5600.380.7915empty

Compared structures

  • 3B2P · Crystal structure of E. coli Aminopeptidase N in complex with arginine · the same entry in another collection · chain A against A, TM-score 1.00
  • P04825 · AlphaFold monomer V2.0 prediction for aminopeptidase N (P04825) · a predicted model of the same protein · chain A against A, TM-score 1.00

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