MolNFT v1 · #168413 · protein
Crystal structure of FAB399 in complex with NPNA3 peptide from circumsporozoite protein
6WFZ · FAB399 heavy chain: “Crystal structure of FAB399 in complex with NPNA3 peptide from circumsporozoite protein”. X-ray diffraction, 12 pockets (best druggability 0.65). MolNFT v1 #168413 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6WFZ
- Type
- protein
- Length
- 890 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAB399 heavy chain; FAB399 light chain; NPNA3 peptide
- Pockets
- 12 · best druggability 0.65
Structure
x-ray diffraction · 5 distinct chains · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FAB399 heavy chain | protein | 216 | 10% helix, 52% strand | — |
| B | FAB399 light chain | protein | 219 | 5% helix, 50% strand | — |
| C, P | NPNA3 peptide | protein | 11 | 27% helix, 0% strand | — |
| H | FAB399 heavy chain | protein | 215 | 10% helix, 52% strand | — |
| L | FAB399 light chain | protein | 218 | 5% helix, 50% strand | — |
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.65 | 0.95 | 16 | empty |
| 2 | 454 | 0.58 | 0.74 | 57 | empty |
| 3 | 458 | 0.57 | 0.74 | 52 | empty |
| 4 | 275 | 0.57 | 0.78 | 46 | empty |
| 5 | 61 | 0.46 | 0.84 | 23 | empty |
Interfaces
14 interfaces between chains.
- A–B · 1760 Ų buried · 15 hydrogen bonds · protein-protein
- H–L · 1736 Ų buried · 15 hydrogen bonds · protein-protein
- A–H · 544 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 382 Ų buried · 6 hydrogen bonds · protein-protein
- H–P · 382 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6WFZ · Crystal structure of Fab399 in complex with NPNA3 peptide from circumsporozoite protein · 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 6WFZ · PDBe 6WFZ
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