MolNFT v1 · #22815 · protein
Crystal structure of phospholipase A2 in complex with atropine at 1.23A resolution
1TH6: “Crystal structure of phospholipase A2 in complex with atropine at 1.23A resolution”. X-ray diffraction, 2 ligands (OIN, SO4), 1 pocket (best druggability 0.50). MolNFT v1 #22815 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1TH6
- Type
- protein
- Length
- 121 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phospholipase A2
- EC
- 3.1.1.4
- UniProt
- P59071
- Ligands
- OIN, SO4
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phospholipase A2 (EC 3.1.1.4) | protein | 121 | 48% helix, 8% strand | P59071 |
Ligands and binding sites
- OIN · (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-3-hydroxy-2-phenylpropanoate · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · 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 | 147 | 0.50 | 0.78 | 20 | OIN |
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 1TH6 · Crystal structure of phospholipase A2 in complex with atropine at 1.23A resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P59071 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 vrv-pl- viiia (P59071) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 1TH6 · PDBe 1TH6 · UniProt P59071
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