Research workbench
Crystal structure of B. anthracis protective antigen complexed with human anthrax toxin receptor
Analyse Crystal structure of B. anthracis protective antigen complexed with human… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1T6B
- Type
- protein
- Length
- 846 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protective antigen; Anthrax toxin receptor 2
- UniProt
- P13423, P58335
- Ligands
- CA, NA, MN
- Pockets
- 8 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Protective antigen | protein | 676 | 16% helix, 36% strand | P13423 |
| Y | Anthrax toxin receptor 2 | protein | 170 | 47% helix, 23% strand | P58335 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains X
- NA · Sodium ion · metal · 2 copies · chains X
- MN · Manganese (II) ion · metal · chains X, Y
- PG4 · Tetraethylene glycol · additive · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 610 | 0.69 | 0.78 | 64 | PG4 |
| 2 | 181 | 0.53 | 0.78 | 24 | empty |
| 3 | 105 | 0.38 | 0.75 | 23 | empty |
| 4 | 65 | 0.35 | 0.78 | 21 | empty |
| 5 | 75 | 0.35 | 0.76 | 11 | empty |
Interfaces
1 interface between chains.
- X–Y · 1066 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 1T6B · Crystal structure of B. anthracis Protective Antigen complexed with human Anthrax toxin… · the same entry in another collection · chain Y against Y, TM-score 1.00
- P58335 · AlphaFold monomer V2.0 prediction for anthrax toxin receptor 2 (P58335) · a predicted model of the same protein · chain Y against A, TM-score 0.99
- P13423 · AlphaFold monomer V2.0 prediction for protective antigen (P13423) · a predicted model of the same protein · chain X 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
- Every structure of UniProt P58335
- Elsewhere: RCSB PDB 1T6B · PDBe 1T6B · UniProt P13423 · UniProt P58335
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