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Crystal structure of leukotriene A4 hydrolase in complex with (2S)-2- amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ETHOXY]PHENYL]AMINO]-5-oxo- pentanoic acid

Analyse Crystal structure of leukotriene A4 hydrolase in complex with (2S)-2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CHS
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: 4BU, 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	610	43% helix, 23% strand	P09960

Ligands and binding sites

4BU · (2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid · ligand · chains A
YB · Ytterbium (III) ion · metal · 3 copies · chains A
ZN · Zinc ion · metal · 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	959	0.86	0.87	84	4BU
2	285	0.59	0.78	42	empty
3	164	0.49	0.78	28	empty
4	99	0.42	0.78	22	empty
5	80	0.40	0.78	19	IMD

Compared structures

3CHS · 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 3CHS · PDBe 3CHS · UniProt P09960

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