Research workbench
Crystal structure of FABOX117
Analyse Crystal structure of FABOX117 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DIF
- Type
- protein
- Length
- 851 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FABOX117 light chain fragment; FABOX117 heavy chain fragment
- Pockets
- 8 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FABOX117 light chain fragment | protein | 213 | 6% helix, 54% strand | — |
| B | FABOX117 heavy chain fragment | protein | 211 | 4% helix, 53% strand | — |
| C | FABOX117 light chain fragment | protein | 214 | 7% helix, 52% strand | — |
| D | FABOX117 heavy chain fragment | protein | 213 | 7% helix, 53% strand | — |
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 584 | 0.69 | 0.78 | 64 | empty |
| 2 | 550 | 0.60 | 0.74 | 74 | empty |
| 3 | 479 | 0.58 | 0.74 | 65 | empty |
| 4 | 122 | 0.40 | 0.75 | 29 | empty |
| 5 | 84 | 0.34 | 0.75 | 18 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1877 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1845 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 350 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 299 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 44 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3DIF · Crystal structure of FabOX117 · 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 3DIF · PDBe 3DIF
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