Research workbench
How the anti-(metal chelate) antibody CHA255 is specific for the metal ion of its antigen: X-ray structures for two FAB'(SLASH)HAPTEN complexes with different metals in the chelate
Analyse How the anti-(metal chelate) antibody CHA255 is specific for the metal ion of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1INE
- Type
- protein
- Length
- 424 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IGG1-lambda CHA255 Fab (light chain); IGG1-lambda CHA255 Fab (heavy chain)
- Ligands
- EOT, FE
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | IGG1-lambda CHA255 Fab (light chain) | protein | 211 | 8% helix, 52% strand | — |
| H | IGG1-lambda CHA255 Fab (heavy chain) | protein | 213 | 9% helix, 49% strand | — |
Ligands and binding sites
- EOT · [(1-[(bis-carboxymethyl-amino)-methyl]-2-{4-[3-(2-hydroxy-ethyl)-thioureido]-pheny}-ethyl)-carboxymethyl-amino]-acetic acid · ligand · chains L, H
- FE · Fe (III) ion · metal · chains H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 698 | 0.70 | 0.78 | 60 | empty |
| 2 | 108 | 0.49 | 0.81 | 17 | empty |
| 3 | 161 | 0.45 | 0.75 | 28 | empty |
| 4 | 69 | 0.43 | 0.81 | 13 | FE |
| 5 | 69 | 0.29 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- L–H · 1835 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1INE · How the anti-(metal chelate) antibody CHA255 is specific for the metal ion of its… · 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 1INE · PDBe 1INE
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.