MolNFT v1 · #125554 · protein
Crystal structure of specific mutant from pseudomonas aeruginosa lipoxygenase at 1.8A resolution
5LC8 · Arachidonate 15-lipoxygenase: “Crystal structure of specific mutant from pseudomonas aeruginosa lipoxygenase at 1.8A resolution”. X-ray diffraction, 3 ligands (ZPE, FE2, MG), 6 pockets (best druggability 0.82). MolNFT v1 #125554 on…
- PDB
- 5LC8
- Type
- protein
- Length
- 656 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
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 58% 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 | 656 | 58% 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
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
- GOL · Glycerol · 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 | 611 | 0.82 | 0.87 | 60 | ZPE |
| 2 | 756 | 0.81 | 0.85 | 73 | empty |
| 3 | 50 | 0.68 | 0.97 | 23 | empty |
| 4 | 220 | 0.58 | 0.80 | 31 | empty |
| 5 | 104 | 0.46 | 0.79 | 22 | empty |
Compared structures
- 5LC8 · Crystal Structure of specific mutant from Pseudomonas aeruginosa Lipoxygenase at 1.8A… · 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 5LC8 · PDBe 5LC8
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