MolNFT v1 · #72822 · protein
Crystal structure of the complex of group I phospholipase A2 with 4- methoxy-benzoicacid at 1.4A resolution
3NJU · Phospholipase A2 isoform 3: “Crystal structure of the complex of group I phospholipase A2 with 4- methoxy-benzoicacid at 1.4A resolution”. X-ray diffraction, 2 ligands (ANN, CA), 1 pocket (best druggability 0.57). MolNFT v1 #72822…
- PDB
- 3NJU
- Type
- protein
- Length
- 119 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phospholipase A2 isoform 3
- EC
- 3.1.1.4
- UniProt
- P60045
- Ligands
- ANN, CA
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phospholipase A2 isoform 3 (EC 3.1.1.4) | protein | 119 | 49% helix, 9% strand | P60045 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 105 | 0.57 | 0.85 | 19 | ANN |
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 3NJU · Crystal structure of the complex of group I phospholipase A2 with 4-Methoxy-benzoicacid… · the same entry in another collection · chain A against A, TM-score 1.00
- P60045 · AlphaFold monomer V2.0 prediction for acidic phospholipase A2 3 (P60045) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P60045
- Elsewhere: RCSB PDB 3NJU · PDBe 3NJU · UniProt P60045
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