MolNFT v1 · #49642 · protein
Saturation of substrate-binding site using two natural ligands: crystal structure of a ternary complex of phospholipase A2 with anisic acid and ajmaline at 2.25 a resolution
2QUE · Phospholipase A2 vrv-pl-viiia: “Saturation of substrate-binding site using two natural ligands: crystal structure of a ternary complex of…”. X-ray diffraction, 2 ligands (AJM, ANN), 1 pocket (best druggability 0.49). MolNFT v1…
- PDB
- 2QUE
- Type
- protein
- Length
- 121 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phospholipase A2 vrv-pl-viiia
- EC
- 3.1.1.4
- UniProt
- P59071
- Ligands
- AJM, ANN
- Pockets
- 1 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phospholipase A2 vrv-pl-viiia (EC 3.1.1.4) | protein | 121 | 48% helix, 11% strand | P59071 |
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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.49 | 0.79 | 18 | empty |
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 2QUE · Saturation of substrate-binding site using two natural ligands: Crystal structure of a… · 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
- Every structure of UniProt P59071
- Elsewhere: RCSB PDB 2QUE · PDBe 2QUE · UniProt P59071
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