MolNFT v1 · #23365 · protein
Crystal structure of the streptococcal pyrogenic exotoxin J (spe-J)
1TY2 · Putative exotoxin (superantigen): “Crystal structure of the streptococcal pyrogenic exotoxin J (spe-J)”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.81). MolNFT v1 #23365 on GenesisL1: 3D structure, binding…
- PDB
- 1TY2
- Type
- protein
- Length
- 626 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative exotoxin (superantigen)
- UniProt
- Q7BAE3
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 23% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative exotoxin (superantigen) | protein | 211 | 22% helix, 37% strand | Q7BAE3 |
| B | Putative exotoxin (superantigen) | protein | 207 | 24% helix, 36% strand | Q7BAE3 |
| C | Putative exotoxin (superantigen) | protein | 208 | 23% helix, 38% strand | Q7BAE3 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1000 | 0.81 | 0.82 | 72 | empty |
| 2 | 297 | 0.57 | 0.77 | 35 | empty |
| 3 | 240 | 0.53 | 0.76 | 24 | empty |
| 4 | 183 | 0.49 | 0.76 | 23 | empty |
| 5 | 148 | 0.48 | 0.78 | 27 | empty |
Interfaces
2 interfaces between chains.
- A–B · 753 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 553 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1TY2 · Crystal structure of the streptococcal pyrogenic exotoxin J (SPE-J) · the same entry in another collection · 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 Q7BAE3
- Elsewhere: RCSB PDB 1TY2 · PDBe 1TY2 · UniProt Q7BAE3
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