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Crystal structure of leukotriene A4 hydrolase in complex with (3S)-3- amino-4-oxo-4-[(4-PHENYLMETHOXYPHENYL)AMINO]BUTANOIC acid

Analyse Crystal structure of leukotriene A4 hydrolase in complex with (3S)-3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CHP
Type: protein
Length: 608 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: 4BO, ZN, YB
Pockets: 7 · 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	608	43% helix, 23% strand	P09960

Ligands and binding sites

4BO · (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid · ligand · chains A
ZN · Zinc ion · metal · chains A
YB · Ytterbium (III) 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

7 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	985	0.86	0.87	85	ZN, 4BO
2	54	0.73	0.99	21	empty
3	90	0.49	0.82	18	empty
4	169	0.46	0.75	22	empty
5	135	0.41	0.75	26	empty

Compared structures

3CHP · Crystal structure of leukotriene a4 hydrolase in complex with… · 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 3CHP · PDBe 3CHP · UniProt P09960

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