MolNFT v1 · #106111 · protein
Crystal structure of variant G186E from pseudomonas aeruginosa lipoxygenase 2 at 1.60A (C2)
4RPE · Linoleate 9/13-lipoxygenase: “Crystal structure of variant G186E from pseudomonas aeruginosa lipoxygenase 2 at 1.60A (C2)”. X-ray diffraction, 2 ligands (8PE, FE2), 6 pockets (best druggability 0.83). MolNFT v1 #106111 on GenesisL1…
- PDB
- 4RPE
- Type
- protein
- Length
- 658 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Linoleate 9/13-lipoxygenase
- EC
- 1.13.11.-, 1.13.11.58, 1.13.11.77
- UniProt
- Q8RNT4
- Ligands
- 8PE, FE2
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Linoleate 9/13-lipoxygenase (EC 1.13.11.-, 1.13.11.58, 1.13.11.77) | protein | 658 | 57% helix, 6% strand | Q8RNT4 |
Ligands and binding sites
- 8PE · (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate · ligand · chains A
- FE2 · Fe (II) ion · metal · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 842 | 0.83 | 0.85 | 79 | empty |
| 2 | 672 | 0.80 | 0.84 | 60 | 8PE |
| 3 | 196 | 0.61 | 0.82 | 35 | empty |
| 4 | 245 | 0.60 | 0.80 | 31 | empty |
| 5 | 69 | 0.42 | 0.80 | 12 | empty |
Compared structures
- 4RPE · Crystal Structure of Variant G186E from Pseudomonas Aeruginosa Lipoxygenase 2 at 1.60A… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8RNT4 · AlphaFold monomer V2.0 prediction for linoleate 9/13-lipoxygenase (Q8RNT4) · a predicted model of the same protein · 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 Q8RNT4
- Elsewhere: RCSB PDB 4RPE · PDBe 4RPE · UniProt Q8RNT4
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