MolNFT v1 · #134728 · protein
Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain interfaces
5TDO · Anti-HER2 Fab light chain: “Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain…”. X-ray diffraction, 8 pockets (best druggability 0.65). MolNFT v1 #134728 on GenesisL1: 3D…
- PDB
- 5TDO
- Type
- protein
- Length
- 853 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anti-HER2 Fab light chain; Anti-HER2 Fab heavy chain
- Pockets
- 8 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Anti-HER2 Fab light chain | protein | 213 | 6% helix, 51% strand | — |
| B | Anti-HER2 Fab heavy chain | protein | 214 | 8% helix, 52% strand | — |
| D | Anti-HER2 Fab heavy chain | protein | 213 | 10% helix, 54% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 708 | 0.65 | 0.74 | 71 | empty |
| 2 | 270 | 0.58 | 0.78 | 35 | GOL |
| 3 | 173 | 0.44 | 0.74 | 32 | empty |
| 4 | 137 | 0.40 | 0.74 | 26 | empty |
| 5 | 53 | 0.39 | 0.81 | 19 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1761 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1706 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 721 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 5TDO · Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and… · 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 5TDO · PDBe 5TDO
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.