MolNFT v1 · #164586 · protein
DAB3
6T2J · Single domain antibody: “DAB3”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.75). MolNFT v1 #164586 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6T2J
- Type
- protein
- Length
- 239 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Single domain antibody
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Single domain antibody | protein | 120 | 10% helix, 51% strand | — |
| B | Single domain antibody | protein | 119 | 8% helix, 51% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.75 | 0.98 | 18 | PO4 |
| 2 | 54 | 0.29 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 825 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6T2J · dAb3 · 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 6T2J · PDBe 6T2J
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