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MolNFT v1 · #8277 · protein

Structure of leukotriene A4 hydrolase D375N mutant

1GW6 · Leukotriene a-4 hydrolase: “Structure of leukotriene A4 hydrolase D375N mutant”. X-ray diffraction, 3 ligands (BES, YB, ZN), 5 pockets (best druggability 0.86). MolNFT v1 #8277 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1GW6
Type
protein
Length
610 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Leukotriene a-4 hydrolase
EC
3.3.2.6
UniProt
P09960
Ligands
BES, YB, ZN
Pockets
5 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALeukotriene a-4 hydrolase (EC 3.3.2.6)protein61043% helix, 23% strandP09960

Ligands and binding sites

  • BES · 2-(3-amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid · ligand · chains A
  • YB · Ytterbium (III) ion · metal · chains A
  • ZN · Zinc ion · metal · chains A
  • ACT · Acetate ion · additive · chains A
  • IMD · Imidazole · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110480.860.8786BES, ACT, IMD
2940.520.8318empty
32070.520.7728empty
4700.330.7613empty
5590.270.7419empty

Compared structures

  • 1GW6 · Structure of leukotriene A4 hydrolase D375N mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P09960 · AlphaFold monomer V2.0 prediction for leukotriene a-4 hydrolase (P09960) · a predicted model of the same protein · chain A against A, TM-score 0.99

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