MolNFT v1 · #63685 · protein

Leukotriene A4 hydrolase complexed with inhibitor (2R)-2-[(4- BENZYLPHENOXY)METHYL]PYRROLIDINE.

3FH5 · Leukotriene a-4 hydrolase: “Leukotriene A4 hydrolase complexed with inhibitor (2R)-2-[(4- BENZYLPHENOXY)METHYL]PYRROLIDINE.”. X-ray diffraction, 3 ligands (24P, YB, ZN), 5 pockets (best druggability 0.85). MolNFT v1 #63685 on…

PDB: 3FH5
Type: protein
Length: 606 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: 24P, YB, ZN
Pockets: 5 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Leukotriene a-4 hydrolase (EC 3.3.2.6)	protein	606	44% helix, 24% strand	P09960

Ligands and binding sites

24P · (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine · ligand · chains A
YB · Ytterbium (III) ion · metal · 2 copies · chains A
ZN · Zinc ion · metal · chains A
IMD · Imidazole · additive · 2 copies · chains A
ACT · Acetate ion · additive · chains A
GOL · Glycerol · 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	1088	0.85	0.86	93	IMD, 24P
2	117	0.53	0.82	22	empty
3	181	0.47	0.75	28	empty
4	140	0.42	0.75	26	empty
5	64	0.31	0.75	15	empty

Compared structures

3FH5 · 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 3FH5 · PDBe 3FH5 · UniProt P09960

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