MolNFT v1 · #29852 · protein
Crystal structure of a rgd-containing host-selective toxin: pyrenophora tritici-repentis ptr toxa
1ZLE · Ptr necrosis toxin: “Crystal structure of a rgd-containing host-selective toxin: pyrenophora tritici-repentis ptr toxa”. X-ray diffraction, 1 ligand (NI), 1 pocket (best druggability 0.50). MolNFT v1 #29852 on GenesisL1: 3D…
- PDB
- 1ZLE
- Type
- protein
- Length
- 315 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ptr necrosis toxin
- UniProt
- P78737
- Ligands
- NI
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Ptr necrosis toxin | protein | 103 | 4% helix, 57% strand | P78737 |
| B | Ptr necrosis toxin | protein | 109 | 4% helix, 56% strand | P78737 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 8 copies · chains A, B, C
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 | 205 | 0.50 | 0.76 | 30 | NI |
Interfaces
3 interfaces between chains.
- A–B · 740 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 733 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 730 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (cyclization).
Compared structures
- 1ZLE · Crystal structure of a RGD-containing host-selective toxin: Pyrenophora tritici-repentis… · 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 P78737
- Elsewhere: RCSB PDB 1ZLE · PDBe 1ZLE · UniProt P78737
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.