Research workbench
Crystal structure of wild-type bacterial lipoxygenase from pseudomonas aeruginosa pa-lox with space group P21212 at 1.9 a resolution
Analyse Crystal structure of wild-type bacterial lipoxygenase from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5IR5
- Type
- protein
- Length
- 626 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arachidonate 15-lipoxygenase
- EC
- 1.13.11.12, 1.13.11.33
- Ligands
- ZPE, FE2, NA
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arachidonate 15-lipoxygenase (EC 1.13.11.12, 1.13.11.33) | protein | 626 | 57% 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
- NA · Sodium ion · metal · chains A
- GOL · Glycerol · additive · 3 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 579 | 0.81 | 0.86 | 47 | ZPE |
| 2 | 413 | 0.63 | 0.77 | 48 | GOL |
| 3 | 154 | 0.61 | 0.84 | 34 | empty |
| 4 | 257 | 0.59 | 0.79 | 30 | empty |
| 5 | 67 | 0.32 | 0.74 | 15 | empty |
Compared structures
- 5IR5 · 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 5IR5 · PDBe 5IR5
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