MolNFT v2 · #218517 · protein
Crystal structure of a homospecific CR57 diabody
8R3W · Homospecific Diabody CR57: “Crystal structure of a homospecific CR57 diabody”. X-ray diffraction at 2.38, 3 pockets (best druggability 0.80). MolNFT v2 #218517 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8R3W
- Type
- protein
- Length
- 479 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.38
- Source
- Homo sapiens
- Molecule
- Homospecific Diabody CR57
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · resolution 2.38 · 2 distinct chains · 5% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Homospecific Diabody CR57 | protein | 240 | 5% helix, 52% strand | — |
| R | Homospecific Diabody CR57 | protein | 239 | 5% helix, 48% strand | — |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 990 | 0.80 | 0.82 | 114 | empty |
| 2 | 78 | 0.53 | 0.85 | 19 | empty |
| 3 | 51 | 0.31 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–R · 1930 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 8R3W · PDBe 8R3W
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