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Low resolution crystal structure (5.5 a) of the anthrax toxin protective antigen heptamer prepore D425A mutant
Analyse Low resolution crystal structure (5.5 a) of the anthrax toxin protective… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UJI
- Type
- protein
- Length
- 6,757 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protective antigen pa-63
- UniProt
- P13423
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 14 distinct chains · 17% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protective antigen pa-63 | protein | 471 | 18% helix, 27% strand | P13423 |
| B | Protective antigen pa-63 | protein | 519 | 17% helix, 31% strand | P13423 |
| C | Protective antigen pa-63 | protein | 388 | 19% helix, 29% strand | P13423 |
| D | Protective antigen pa-63 | protein | 539 | 17% helix, 30% strand | P13423 |
| E | Protective antigen pa-63 | protein | 516 | 17% helix, 31% strand | P13423 |
| F | Protective antigen pa-63 | protein | 467 | 19% helix, 29% strand | P13423 |
| G | Protective antigen pa-63 | protein | 520 | 16% helix, 30% strand | P13423 |
| H | Protective antigen pa-63 | protein | 493 | 17% helix, 27% strand | P13423 |
| I | Protective antigen pa-63 | protein | 529 | 17% helix, 30% strand | P13423 |
| J | Protective antigen pa-63 | protein | 470 | 19% helix, 29% strand | P13423 |
| K | Protective antigen pa-63 | protein | 488 | 16% helix, 28% strand | P13423 |
| L | Protective antigen pa-63 | protein | 404 | 18% helix, 27% strand | P13423 |
| M | Protective antigen pa-63 | protein | 473 | 16% helix, 27% strand | P13423 |
| N | Protective antigen pa-63 | protein | 480 | 16% helix, 26% strand | P13423 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 845 | 0.82 | 0.85 | 73 | empty |
| 2 | 725 | 0.82 | 0.86 | 81 | empty |
| 3 | 856 | 0.82 | 0.84 | 73 | empty |
| 4 | 673 | 0.82 | 0.86 | 67 | empty |
| 5 | 962 | 0.81 | 0.83 | 76 | empty |
Interfaces
16 interfaces between chains.
- H–I · 2290 Ų buried · 35 hydrogen bonds · protein-protein
- D–E · 2285 Ų buried · 33 hydrogen bonds · protein-protein
- A–B · 2271 Ų buried · 31 hydrogen bonds · protein-protein
- F–G · 2255 Ų buried · 30 hydrogen bonds · protein-protein
- J–K · 2221 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 6UJI · Low resolution crystal structure (5.5 A) of the anthrax toxin protective antigen heptamer… · the same entry in another collection · chain I against I, 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 P13423
- Elsewhere: RCSB PDB 6UJI · PDBe 6UJI · UniProt P13423
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