Research workbench
Crystal structure of anthrax protective antigen mutant S337C N664C and dithiolacetone modified to 1.8-a resolution
Analyse Crystal structure of anthrax protective antigen mutant S337C N664C and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TEZ
- Type
- protein
- Length
- 700 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protective antigen
- UniProt
- P13423
- Ligands
- ACN, CA
- Pockets
- 8 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protective antigen | protein | 700 | 16% helix, 35% strand | P13423 |
Ligands and binding sites
- ACN · Acetone · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- MXE · 2-methoxyethanol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 651 | 0.67 | 0.76 | 64 | MXE |
| 2 | 146 | 0.67 | 0.88 | 26 | empty |
| 3 | 144 | 0.63 | 0.86 | 27 | empty |
| 4 | 205 | 0.49 | 0.76 | 34 | empty |
| 5 | 149 | 0.44 | 0.75 | 27 | empty |
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 3TEZ · Crystal Structure of Anthrax Protective Antigen Mutant S337C N664C and dithiolacetone… · 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 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 3TEZ · PDBe 3TEZ · UniProt P13423
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