MolNFT v1 · #10066 · protein
A detailed analysis of the free and bound conformation of an antibody: X-ray structures of anti-peptide Fab 17(SLASH)9 and three different Fab-peptide complexes
1IFH · IGG2A-kappa 17/9 Fab (light chain): “A detailed analysis of the free and bound conformation of an antibody: X-ray structures of anti-peptide Fab…”. X-ray diffraction, 1 ligand (ACE), 4 pockets (best druggability 0.48). MolNFT v1…
- PDB
- 1IFH
- Type
- protein
- Length
- 443 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IGG2A-kappa 17/9 Fab (light chain); IGG2A-kappa 17/9 Fab (heavy chain); Influenza…
- Ligands
- ACE
- Pockets
- 4 · best druggability 0.48
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | IGG2A-kappa 17/9 Fab (light chain) | protein | 217 | 6% helix, 52% strand | — |
| H | IGG2A-kappa 17/9 Fab (heavy chain) | protein | 219 | 5% helix, 53% strand | — |
| P | Influenza hemagglutinin HA1 (strain X47) (residues 101-107) | protein | 7 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains H, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.48 | 0.74 | 40 | empty |
| 2 | 100 | 0.38 | 0.75 | 24 | empty |
| 3 | 60 | 0.29 | 0.74 | 15 | empty |
| 4 | 68 | 0.28 | 0.73 | 14 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1790 Ų buried · 15 hydrogen bonds · protein-protein
- H–P · 462 Ų buried · 12 hydrogen bonds · protein-protein
- L–P · 174 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 1IFH · A detailed analysis of the free and bound conformation of an antibody: X-ray structures… · the same entry in another collection · chain L against L, 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 1IFH · PDBe 1IFH
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