MolNFT v1 · #92684 · protein
Design of peptide inhibitors of phospholipase A2: crystal structure of phospholipase A2 complexed with a designed tetrapeptide val - ilu- ala - lys at 2.7 a resolution
4GFY · Phospholipase A2 vrv-pl-viiia: “Design of peptide inhibitors of phospholipase A2: crystal structure of phospholipase A2 complexed with a…”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.30). MolNFT v1 #92684 on…
- PDB
- 4GFY
- Type
- protein
- Length
- 125 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phospholipase A2 vrv-pl-viiia; Viak
- EC
- 3.1.1.4
- UniProt
- D0VX11
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phospholipase A2 vrv-pl-viiia (EC 3.1.1.4) | protein | 121 | 48% helix, 7% strand | D0VX11 |
| B | Viak | protein | 4 | 0% helix, 0% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
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 | 53 | 0.30 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 429 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 4GFY · Design of peptide inhibitors of phospholipase A2: crystal Structure of phospholipase A2… · 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 D0VX11
- Elsewhere: RCSB PDB 4GFY · PDBe 4GFY · UniProt D0VX11
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