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

Analyse Crystal structure of human LTA4H mutant E271A in complex with LTA4 (crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALeukotriene a-4 hydrolase (EC 3.3.2.6)protein60744% helix, 23% strandP09960

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110800.850.86100DJ3
22950.620.7940empty
31720.430.7428empty

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

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