MolNFT v1 · #92291 · protein
Crystal structure of a phospholipid-lipoxygenase complex from pseudomonas aeruginosa at 2.0 a (C2221)
4G33 · 15S-lipoxygenase: “Crystal structure of a phospholipid-lipoxygenase complex from pseudomonas aeruginosa at 2.0 a (C2221)”. X-ray diffraction, 2 ligands (ZPE, FE2), 5 pockets (best druggability 0.82). MolNFT v1 #92291 on GenesisL1…
- PDB
- 4G33
- Type
- protein
- Length
- 661 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 15S-lipoxygenase
- EC
- 1.13.11.-
- UniProt
- Q8RNT4
- Ligands
- ZPE, FE2
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 15S-lipoxygenase (EC 1.13.11.-) | protein | 661 | 56% helix, 6% strand | Q8RNT4 |
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
- GOL · Glycerol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 859 | 0.82 | 0.84 | 73 | GOL |
| 2 | 621 | 0.81 | 0.85 | 58 | ZPE |
| 3 | 229 | 0.57 | 0.79 | 29 | empty |
| 4 | 144 | 0.51 | 0.79 | 33 | GOL |
| 5 | 74 | 0.34 | 0.75 | 20 | empty |
Compared structures
- 4G33 · Crystal Structure of a Phospholipid-Lipoxygenase Complex from Pseudomonas aeruginosa at… · 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 4G33 · PDBe 4G33 · UniProt Q8RNT4
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