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MolNFT v1 · #13811 · protein

The 1.20 ångström resolution crystal structure of the aminopeptidase from aeromonas proteolytica complexed with tris: a tale of buffer inhibition

1LOK · Bacterial leucyl aminopeptidase: “The 1.20 ångström resolution crystal structure of the aminopeptidase from aeromonas proteolytica complexed…”. X-ray diffraction, 3 ligands (ZN, NA, SCN), 1 pocket (best druggability 0.45). MolNFT v1…

PDB
1LOK
Type
protein
Length
291 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacterial leucyl aminopeptidase
EC
3.4.11.10
UniProt
Q01693
Ligands
ZN, NA, SCN
Pockets
1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacterial leucyl aminopeptidase (EC 3.4.11.10)protein29141% helix, 18% strandQ01693

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · chains A
  • SCN · Thiocyanate ion · ion · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · 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
1710.450.8220ZN, TRS

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1LOK · The 1.20 Angstrom Resolution Crystal Structure of the Aminopeptidase from Aeromonas… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q01693 · AlphaFold monomer V2.0 prediction for bacterial leucyl aminopeptidase (Q01693) · a predicted model of the same protein · chain A against A, TM-score 1.00

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