MolNFT v1 · #19192 · protein
Low temperature complex of pokeweed antiviral protein with pteoric acid
1QCJ: “Low temperature complex of pokeweed antiviral protein with pteoric acid”. X-ray diffraction, 1 ligand (APT), 2 pockets (best druggability 0.79). MolNFT v1 #19192 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1QCJ
- Type
- protein
- Length
- 524 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pokeweed antiviral protein
- UniProt
- P10297
- Ligands
- APT
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pokeweed antiviral protein | protein | 262 | 37% helix, 23% strand | P10297 |
Ligands and binding sites
- APT · 2-amino-6-[(4-carboxy-phenylamino)-methyl]-4-hydroxy-pteridin-1-ium · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1183 | 0.79 | 0.80 | 107 | APT |
| 2 | 54 | 0.26 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 547 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 1QCJ · Low temperature complex of pokeweed antiviral protein with pteoric acid · the same entry in another collection · chain A against A, TM-score 1.00
- P10297 · AlphaFold monomer V2.0 prediction for antiviral protein I (P10297) · 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 P10297
- Elsewhere: RCSB PDB 1QCJ · PDBe 1QCJ · UniProt P10297
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