MolNFT v1 · #100008 · protein
Human leukotriene A4 hydrolase in complex with pro-gly-pro analogue and 4-(4-BENZYLPHENYL)THIAZOL-2-amine
4MKT · Leukotriene a-4 hydrolase: “Human leukotriene A4 hydrolase in complex with pro-gly-pro analogue and 4-(4-BENZYLPHENYL)THIAZOL-2-amine”. X-ray diffraction, 4 ligands (28T, 1V6, YB), 6 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 4MKT
- Type
- protein
- Length
- 608 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
- 28T, 1V6, YB, ZN
- Pockets
- 6 · 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 | 608 | 44% helix, 24% strand | P09960 |
Ligands and binding sites
- 28T · 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline · ligand · chains A
- 1V6 · 4-(4-benzylphenyl)-1,3-thiazol-2-amine · ligand · chains A
- YB · Ytterbium (III) ion · metal · 2 copies · chains A
- ZN · Zinc ion · metal · chains A
- ACY · Acetic acid · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1069 | 0.85 | 0.86 | 92 | 28T, 1V6 |
| 2 | 107 | 0.52 | 0.82 | 20 | empty |
| 3 | 205 | 0.51 | 0.76 | 30 | empty |
| 4 | 153 | 0.44 | 0.75 | 28 | empty |
| 5 | 83 | 0.34 | 0.75 | 21 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4MKT · Human Leukotriene A4 Hydrolase in complex with Pro-Gly-Pro analogue and… · 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 4MKT · PDBe 4MKT · UniProt P09960
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