MolNFT v1 · #168412 · protein
Crystal structure of FAB224 in complex with NPNA4 peptide from circumsporozoite protein
6WFY · FAB224 heavy chain: “Crystal structure of FAB224 in complex with NPNA4 peptide from circumsporozoite protein”. X-ray diffraction, 5 pockets (best druggability 0.52). MolNFT v1 #168412 on GenesisL1: 3D structure, binding sites and…
- 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
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.