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Leukotriene A4 hydrolase complexed with inhibitor RB3041

Analyse Leukotriene A4 hydrolase complexed with inhibitor RB3041 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2R59
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: PH0, ZN, YB
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	610	44% helix, 24% strand	P09960

Ligands and binding sites

PH0 · N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine · ligand · chains A
ZN · Zinc ion · metal · chains A
YB · Ytterbium (III) ion · metal · chains A
ACY · Acetic acid · 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	1125	0.85	0.86	89	PH0
2	88	0.54	0.85	19	empty
3	169	0.48	0.76	24	empty
4	98	0.38	0.76	21	empty
5	71	0.36	0.77	15	empty

Compared structures

2R59 · Leukotriene A4 hydrolase complexed with inhibitor RB3041 · 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 2R59 · PDBe 2R59 · UniProt P09960

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