MolNFT v1 · #119274 · protein
X-ray crystal structure of aggregation-resistant protective antigen of bacillus anthracis (mutant S559L T576E)
5FR3: “X-ray crystal structure of aggregation-resistant protective antigen of bacillus anthracis (mutant S559L T576E)”. X-ray diffraction, 1 ligand (CA), 9 pockets (best druggability 0.70). MolNFT v1 #119274 on GenesisL1: 3D structure…
- PDB
- 5FR3
- Type
- protein
- Length
- 688 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protective antigen
- UniProt
- P13423
- Ligands
- CA
- Pockets
- 9 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protective antigen | protein | 688 | 16% helix, 35% strand | P13423 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 730 | 0.70 | 0.77 | 76 | empty |
| 2 | 209 | 0.57 | 0.80 | 26 | empty |
| 3 | 65 | 0.44 | 0.82 | 20 | GOL |
| 4 | 126 | 0.43 | 0.76 | 25 | empty |
| 5 | 129 | 0.41 | 0.75 | 20 | empty |
Compared structures
- 5FR3 · X-ray crystal structure of aggregation-resistant protective antigen of Bacillus anthracis… · the same entry in another collection · chain A against A, TM-score 1.00
- P13423 · AlphaFold monomer V2.0 prediction for protective antigen (P13423) · 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 P13423
- Elsewhere: RCSB PDB 5FR3 · PDBe 5FR3 · UniProt P13423
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