MolNFT v1 · #85907 · protein
Crystal structure of pesticin from Y. pestis
4AQN: “Crystal structure of pesticin from Y. pestis”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.79). MolNFT v1 #85907 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4AQN
- Type
- protein
- Length
- 678 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pesticin
- UniProt
- Q57159
- Ligands
- MG
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pesticin | protein | 340 | 40% helix, 18% strand | Q57159 |
| B | Pesticin | protein | 338 | 39% helix, 18% strand | Q57159 |
Ligands and binding sites
- MG · Magnesium ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1026 | 0.79 | 0.81 | 99 | MG |
| 2 | 145 | 0.47 | 0.77 | 24 | empty |
| 3 | 105 | 0.39 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 625 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4AQN · Crystal structure of pesticin from Y. pestis · 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 Q57159
- Elsewhere: RCSB PDB 4AQN · PDBe 4AQN · UniProt Q57159
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.