Research workbench
42F3 TCR PCPA12/H-2LD complex
Analyse 42F3 TCR PCPA12/H-2LD complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4N5E
- Type
- protein
- Length
- 621 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 42F3 alpha vmch; 42F3 beta vmch; H-2 class I histocompatibility antigen, L-D alpha chain…
- UniProt
- P01897
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 14% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | 42F3 alpha vmch | protein | 199 | 3% helix, 41% strand | — |
| D | 42F3 beta vmch | protein | 239 | 6% helix, 53% strand | — |
| A | H-2 class I histocompatibility antigen, L-D alpha chain | protein | 174 | 38% helix, 33% strand | P01897 |
| B | PCPA12 | protein | 9 | 0% helix, 0% strand | — |
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 856 | 0.73 | 0.78 | 72 | empty |
| 2 | 115 | 0.48 | 0.79 | 21 | empty |
| 3 | 98 | 0.44 | 0.79 | 17 | empty |
| 4 | 112 | 0.42 | 0.77 | 22 | empty |
| 5 | 83 | 0.40 | 0.78 | 25 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2212 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 923 Ų buried · 17 hydrogen bonds · protein-protein
- D–A · 420 Ų buried · 3 hydrogen bonds · protein-protein
- C–A · 411 Ų buried · 7 hydrogen bonds · protein-protein
- C–B · 232 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
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 P01897
- Elsewhere: RCSB PDB 4N5E · PDBe 4N5E · UniProt P01897
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