Research workbench
Crystal structure of the complex of hujovi-1 Fab with the human TRBC2
Analyse Crystal structure of the complex of hujovi-1 Fab with the human TRBC2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AMQ
- Type
- protein
- Length
- 871 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Human A6 T-cell receptor alpha chain; Human A6 T-cell receptor beta chain TRBC1; Human…
- Ligands
- ZN, CL
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 7% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Human A6 T-cell receptor alpha chain | protein | 196 | 5% helix, 47% strand | — |
| B | Human A6 T-cell receptor beta chain TRBC1 | protein | 240 | 7% helix, 51% strand | — |
| H | Human jovi-1 Fab heavy chain | protein | 218 | 11% helix, 51% strand | — |
| L | Human jovi-1 Fab light chain | protein | 217 | 6% helix, 51% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains H, L
- CL · Chloride ion · ion · 2 copies · chains H, L
- GOL · Glycerol · additive · chains H, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1056 | 0.73 | 0.76 | 77 | empty |
| 2 | 698 | 0.66 | 0.75 | 68 | empty |
| 3 | 271 | 0.54 | 0.76 | 44 | empty |
| 4 | 195 | 0.51 | 0.77 | 25 | empty |
| 5 | 52 | 0.51 | 0.88 | 21 | GOL |
Interfaces
4 interfaces between chains.
- A–B · 2133 Ų buried · 22 hydrogen bonds · protein-protein
- H–L · 1770 Ų buried · 16 hydrogen bonds · protein-protein
- B–H · 419 Ų buried · 7 hydrogen bonds · protein-protein
- B–L · 242 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 7AMQ · Crystal structure of the complex of HuJovi-1 Fab with the human TRBC2 · 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
- Elsewhere: RCSB PDB 7AMQ · PDBe 7AMQ
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.