Research workbench
Crystal structure of FAB364 in complex with NPNA2 peptide from circumsporozoite protein
Analyse Crystal structure of FAB364 in complex with NPNA2 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
- 6WFW
- Type
- protein
- Length
- 491 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Immunoglobulin G-binding protein G; FAB364 heavy chain; FAB364 light chain; NPNA2 peptide
- UniProt
- P19909
- Pockets
- 6 · best druggability 0.49
Structure
x-ray diffraction · 4 distinct chains · 9% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G | Immunoglobulin G-binding protein G | protein | 60 | 23% helix, 48% strand | P19909 |
| H | FAB364 heavy chain | protein | 212 | 8% helix, 53% strand | — |
| L | FAB364 light chain | protein | 211 | 6% helix, 51% strand | — |
| P | NPNA2 peptide | protein | 8 | 0% helix, 0% strand | — |
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 241 | 0.49 | 0.75 | 34 | empty |
| 2 | 141 | 0.42 | 0.75 | 28 | empty |
| 3 | 102 | 0.38 | 0.75 | 24 | empty |
| 4 | 74 | 0.34 | 0.75 | 16 | empty |
| 5 | 82 | 0.33 | 0.74 | 21 | empty |
Interfaces
5 interfaces between chains.
- H–L · 1708 Ų buried · 18 hydrogen bonds · protein-protein
- G–H · 537 Ų buried · 15 hydrogen bonds · protein-protein
- H–P · 418 Ų buried · 7 hydrogen bonds · protein-protein
- L–P · 144 Ų buried · 5 hydrogen bonds · protein-protein
- G–L · 128 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6WFW · Crystal structure of Fab364 in complex with NPNA2 peptide from circumsporozoite protein · the same entry in another collection · chain G against G, 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
- Every structure of UniProt P19909
- Elsewhere: RCSB PDB 6WFW · PDBe 6WFW · UniProt P19909
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