Research workbench
Structure-based design of potent and selective inhibitors of phospholipase A2: crystal structure of the complex formed between phosholipase A2 from naja naja sagittifera and a designed peptide inhibitor at 1.9 a resolution
Analyse Structure-based design of potent and selective inhibitors of phospholipase A2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1MF4
- Type
- protein
- Length
- 124 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phospholipase A2; Val-ala-phe-arg-ser
- EC
- 3.1.1.4
- UniProt
- P60045
- Ligands
- CA
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phospholipase A2 (EC 3.1.1.4) | protein | 119 | 47% helix, 9% strand | P60045 |
| B | Val-ala-phe-arg-ser | protein | 5 | 0% helix, 0% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 474 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 1MF4 · Structure-based design of potent and selective inhibitors of phospholipase A2: Crystal… · 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 1MF4 · PDBe 1MF4 · UniProt P60045
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