MolNFT v1 · #122505 · protein
Crystal structure of wild-type bacterial lipoxygenase from pseudomonas aeruginosa pa-lox with space group C2221 at 1.48 a resolution
5IR4 · Arachidonate 15-lipoxygenase: “Crystal structure of wild-type bacterial lipoxygenase from pseudomonas aeruginosa pa-lox with space group…”. X-ray diffraction, 4 ligands (ZPE, FE2, MG), 6 pockets (best druggability 0.82). MolNFT v1…
- PDB
- 5IR4
- Type
- protein
- Length
- 658 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arachidonate 15-lipoxygenase
- EC
- 1.13.11.12, 1.13.11.13
- Ligands
- ZPE, FE2, MG, CL
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arachidonate 15-lipoxygenase (EC 1.13.11.12, 1.13.11.13) | protein | 658 | 59% helix, 6% strand | — |
Ligands and binding sites
- ZPE · (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 7 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 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 | 850 | 0.82 | 0.84 | 74 | GOL |
| 2 | 579 | 0.81 | 0.86 | 61 | ZPE |
| 3 | 119 | 0.70 | 0.91 | 34 | GOL |
| 4 | 221 | 0.57 | 0.79 | 30 | empty |
| 5 | 99 | 0.37 | 0.75 | 22 | empty |
Compared structures
- 5IR4 · Crystal structure of wild-type bacterial lipoxygenase from Pseudomonas aeruginosa PA-LOX… · 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
- Elsewhere: RCSB PDB 5IR4 · PDBe 5IR4
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