MolNFT v1 · #128154 · protein

Crystal structure of human LTA4H mutant E271A in complex with LTA4 (crystal form I)

5NI2 · Leukotriene a-4 hydrolase: “Crystal structure of human LTA4H mutant E271A in complex with LTA4 (crystal form I)”. X-ray diffraction, 3 ligands (DJ3, YB, ZN), 3 pockets (best druggability 0.85). MolNFT v1 #128154 on GenesisL1: 3D…

PDB: 5NI2
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: DJ3, YB, ZN
Pockets: 3 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Leukotriene a-4 hydrolase (EC 3.3.2.6)	protein	607	44% helix, 23% strand	P09960

Ligands and binding sites

DJ3 · 5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid · ligand · chains A
YB · Ytterbium (III) ion · metal · 2 copies · chains A
ZN · Zinc ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 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	1080	0.85	0.86	100	DJ3
2	295	0.62	0.79	40	empty
3	172	0.43	0.74	28	empty

Compared structures

5NI2 · Crystal structure of human LTA4H mutant E271A in complex with LTA4 (crystal form I) · 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 5NI2 · PDBe 5NI2 · UniProt P09960

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