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Complex of streptococcal pyrogenic enterotoxin C (spec) with a human T cell receptor beta chain (VBETA2.1)
Analyse Complex of streptococcal pyrogenic enterotoxin C (spec) with a human T cell… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1KTK
- Type
- protein
- Length
- 1,200 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exotoxin type C; T-cell receptor beta chain
- UniProt
- P13380, P01850
- Pockets
- 19 · best druggability 0.72
Structure
x-ray diffraction · 6 distinct chains · 12% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exotoxin type C | protein | 203 | 20% helix, 35% strand | P13380 |
| B | Exotoxin type C | protein | 200 | 18% helix, 29% strand | P13380 |
| C | Exotoxin type C | protein | 208 | 18% helix, 32% strand | P13380 |
| D | Exotoxin type C | protein | 198 | 17% helix, 30% strand | P13380 |
| E | T-cell receptor beta chain | protein | 247 | 0% helix, 32% strand | P01850 |
| F | T-cell receptor beta chain | protein | 144 | 0% helix, 17% strand | P01850 |
Pockets
19 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.72 | 0.98 | 25 | empty |
| 2 | 99 | 0.65 | 0.90 | 28 | empty |
| 3 | 530 | 0.60 | 0.74 | 51 | empty |
| 4 | 88 | 0.59 | 0.87 | 22 | empty |
| 5 | 179 | 0.56 | 0.80 | 26 | empty |
Interfaces
6 interfaces between chains.
- A–E · 843 Ų buried · 18 hydrogen bonds · protein-protein
- B–F · 691 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 559 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 517 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 234 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 1KTK · Complex of Streptococcal pyrogenic enterotoxin C (SpeC) with a human T cell receptor beta… · the same entry in another collection · chain F against F, TM-score 1.00
- P01850 · AlphaFold monomer V2.0 prediction for T cell receptor beta constant 1 (P01850) · a predicted model of the same protein · chain E against A, TM-score 0.49
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 P13380
- Every structure of UniProt P01850
- Elsewhere: RCSB PDB 1KTK · PDBe 1KTK · UniProt P13380 · UniProt P01850
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