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MolNFT v1 · #26309 · protein

Mg-substituted form of E. COLI aminopeptidase P

1WL6 · Xaa-pro aminopeptidase: “Mg-substituted form of E. COLI aminopeptidase P”. X-ray diffraction, 2 ligands (MG, CL), 3 pockets (best druggability 0.51). MolNFT v1 #26309 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1WL6
Type
protein
Length
440 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Xaa-pro aminopeptidase
EC
3.4.11.9
UniProt
P15034
Ligands
MG, CL
Pockets
3 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AXaa-pro aminopeptidase (EC 3.4.11.9)protein44041% helix, 19% strandP15034

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • IPA · Isopropyl alcohol · additive · 2 copies · chains A
  • XPE · 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol · 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
12150.510.7630empty
2830.400.7820IPA
3500.250.7414empty

Compared structures

  • 1WL6 · Mg-substituted form of E. coli aminopeptidase P · the same entry in another collection · chain A against A, TM-score 1.00
  • P15034 · AlphaFold monomer V2.0 prediction for xaa-pro aminopeptidase (P15034) · a predicted model of the same protein · chain A against A, TM-score 1.00

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