MolNFT v1 · #71360 · protein
Crystal structure of staphylococcal enterotoxin G (seg) in complex with a mouse T-cell receptor beta chain
3MC0 · Variable beta 8.2 mouse T cell receptor: “Crystal structure of staphylococcal enterotoxin G (seg) in complex with a mouse T-cell receptor beta chain”. X-ray diffraction, 5 pockets (best druggability 0.73). MolNFT v1 #71360 on…
- PDB
- 3MC0
- Type
- protein
- Length
- 673 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Variable beta 8.2 mouse T cell receptor; Enterotoxin seg
- UniProt
- A2NTY6, D0EMB6
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 17% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Variable beta 8.2 mouse T cell receptor | protein | 109 | 3% helix, 58% strand | A2NTY6 |
| B | Enterotoxin seg | protein | 228 | 21% helix, 33% strand | D0EMB6 |
| D | Enterotoxin seg | protein | 227 | 20% helix, 33% strand | D0EMB6 |
Ligands and binding sites
- ACT · Acetate ion · additive · 8 copies · chains A, B, D, 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 608 | 0.73 | 0.80 | 71 | ACT |
| 2 | 511 | 0.65 | 0.77 | 53 | empty |
| 3 | 514 | 0.63 | 0.76 | 52 | empty |
| 4 | 108 | 0.60 | 0.86 | 27 | ACT |
| 5 | 94 | 0.58 | 0.86 | 24 | ACT |
Interfaces
5 interfaces between chains.
- B–D · 752 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 664 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 661 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 77 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 69 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3MC0 · Crystal Structure of Staphylococcal Enterotoxin G (SEG) in Complex with a Mouse T-cell… · 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 A2NTY6
- Every structure of UniProt D0EMB6
- Elsewhere: RCSB PDB 3MC0 · PDBe 3MC0 · UniProt A2NTY6 · UniProt D0EMB6
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