MolNFT v1 · #166225 · protein
Low resolution crystal structure (5.5 a) of the anthrax toxin protective antigen heptamer prepore D425A mutant
6UJI · Protective antigen pa-63: “Low resolution crystal structure (5.5 a) of the anthrax toxin protective antigen heptamer prepore D425A mutant”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #166225 on GenesisL1: 3D…
- 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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