Research workbench
Complex structure of PAP4 with papaverine
Analyse Complex structure of PAP4 with papaverine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7N53
- Type
- protein
- Length
- 367 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PAP4
- Ligands
- EV1, SO4
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 81% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PAP4 | protein | 183 | 81% helix, 1% strand | — |
| B | PAP4 | protein | 184 | 81% helix, 1% strand | — |
Ligands and binding sites
- EV1 · 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.85 | 0.96 | 35 | EV1 |
| 2 | 320 | 0.85 | 0.94 | 40 | EV1 |
| 3 | 246 | 0.52 | 0.76 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 1268 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7N53 · Complex structure of PAP4 with papaverine · 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
- Elsewhere: RCSB PDB 7N53 · PDBe 7N53
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