MolNFT v1 · #63694 · protein

Leukotriene A4 hydrolase complexed with inhibitor N-[3-(4- BENZYLPHENOXY)PROPYL]-N-methyl-beta-alanine.

3FHE · Leukotriene a-4 hydrolase: “Leukotriene A4 hydrolase complexed with inhibitor N-[3-(4- BENZYLPHENOXY)PROPYL]-N-methyl-beta-alanine.”. X-ray diffraction, 3 ligands (28P, YB, ZN), 5 pockets (best druggability 0.86). MolNFT v1 #63694…

PDB: 3FHE
Type: protein
Length: 607 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: 28P, YB, ZN
Pockets: 5 · best druggability 0.86

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Leukotriene a-4 hydrolase (EC 3.3.2.6)	protein	607	43% helix, 23% strand	P09960

Ligands and binding sites

28P · N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine · ligand · chains A
YB · Ytterbium (III) ion · metal · 3 copies · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	997	0.86	0.86	89	28P
2	101	0.50	0.82	20	empty
3	178	0.48	0.76	26	empty
4	140	0.40	0.74	27	empty
5	57	0.31	0.76	13	empty

Compared structures

3FHE · Leukotriene A4 Hydrolase complexed with inhibitor… · 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

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P09960
Elsewhere: RCSB PDB 3FHE · PDBe 3FHE · UniProt P09960

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