MolNFT v1 · #147774 · protein

LTA4 hydrolase in complex with COMPOUND15

6END · Leukotriene a-4 hydrolase: “LTA4 hydrolase in complex with COMPOUND15”. X-ray diffraction, 3 ligands (BGK, YB, ZN), 5 pockets (best druggability 0.86). MolNFT v1 #147774 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6END
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: BGK, YB, ZN
Pockets: 5 · best druggability 0.86

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

BGK · 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde · 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

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	1051	0.86	0.86	83	IMD, BGK
2	95	0.51	0.83	23	empty
3	181	0.49	0.76	27	empty
4	70	0.34	0.76	15	empty
5	53	0.29	0.75	13	empty

Compared structures

6END · LTA4 hydrolase in complex with Compound15 · the same entry in another collection · chain A against A, TM-score 1.00

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 6END · PDBe 6END · UniProt P09960

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