MolNFT v1 · #168415 · protein
Crystal structure of FAB399 in complex with NPNA6 peptide from circumsporozoite protein
6WG1 · FAB399 heavy chain: “Crystal structure of FAB399 in complex with NPNA6 peptide from circumsporozoite protein”. X-ray diffraction, 11 pockets (best druggability 0.60). MolNFT v1 #168415 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6WG1
- Type
- protein
- Length
- 890 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAB399 heavy chain; FAB399 light chain; NPNA6 peptide
- Pockets
- 11 · best druggability 0.60
Structure
x-ray diffraction · 5 distinct chains · 8% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FAB399 heavy chain | protein | 215 | 10% helix, 50% strand | — |
| B | FAB399 light chain | protein | 218 | 6% helix, 50% strand | — |
| H | FAB399 heavy chain | protein | 214 | 8% helix, 53% strand | — |
| L | FAB399 light chain | protein | 219 | 6% helix, 51% strand | — |
| C | NPNA6 peptide | protein | 24 | 25% helix, 0% strand | — |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 502 | 0.60 | 0.74 | 55 | empty |
| 2 | 210 | 0.57 | 0.80 | 44 | empty |
| 3 | 354 | 0.54 | 0.74 | 34 | empty |
| 4 | 54 | 0.54 | 0.89 | 20 | empty |
| 5 | 125 | 0.44 | 0.77 | 19 | empty |
Interfaces
9 interfaces between chains.
- A–B · 1755 Ų buried · 13 hydrogen bonds · protein-protein
- H–L · 1724 Ų buried · 15 hydrogen bonds · protein-protein
- A–H · 551 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 405 Ų buried · 3 hydrogen bonds · protein-protein
- L–C · 390 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6WG1 · Crystal structure of Fab399 in complex with NPNA6 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 6WG1 · PDBe 6WG1
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