Research workbench
Crystal structure of FAB224 in complex with NPNA4 peptide from circumsporozoite protein
Analyse Crystal structure of FAB224 in complex with NPNA4 peptide from circumsporozoite… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6WFY
- Type
- protein
- Length
- 455 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAB224 heavy chain; FAB224 light chain; NPNA4 peptide
- Pockets
- 5 · best druggability 0.52
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | FAB224 heavy chain | protein | 228 | 9% helix, 50% strand | — |
| L | FAB224 light chain | protein | 215 | 7% helix, 49% strand | — |
| P | NPNA4 peptide | protein | 12 | 25% helix, 0% strand | — |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 296 | 0.52 | 0.74 | 48 | empty |
| 2 | 77 | 0.46 | 0.82 | 25 | empty |
| 3 | 126 | 0.45 | 0.77 | 19 | empty |
| 4 | 73 | 0.34 | 0.76 | 19 | empty |
| 5 | 52 | 0.26 | 0.74 | 14 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1809 Ų buried · 14 hydrogen bonds · protein-protein
- H–P · 525 Ų buried · 6 hydrogen bonds · protein-protein
- L–P · 297 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6WFY · Crystal structure of Fab224 in complex with NPNA4 peptide from circumsporozoite protein · the same entry in another collection · chain H against H, 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 6WFY · PDBe 6WFY
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