MolNFT v1 · #60099 · protein

Crystal structure of leukotriene A4 hydrolase in complex with N5-[4- (PHENYLMETHOXY)PHENYL]-L-glutamine

3CHQ · Leukotriene a-4 hydrolase: “Crystal structure of leukotriene A4 hydrolase in complex with N5-[4- (PHENYLMETHOXY)PHENYL]-L-glutamine”. X-ray diffraction, 3 ligands (4BQ, YB, ZN), 5 pockets (best druggability 0.85). MolNFT v1 #60099…

PDB: 3CHQ
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: 4BQ, YB, ZN
Pockets: 5 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Leukotriene a-4 hydrolase (EC 3.3.2.6)	protein	607	43% helix, 24% strand	P09960

Ligands and binding sites

4BQ · (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1122	0.85	0.86	99	IMD, 4BQ
2	50	0.73	0.99	19	empty
3	303	0.61	0.79	41	empty
4	137	0.41	0.75	28	empty
5	77	0.37	0.77	21	empty

Compared structures

3CHQ · 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 3CHQ · PDBe 3CHQ · UniProt P09960

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