MolNFT v1 · #10309 · protein
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
1IND · IGG1-lambda CHA255 Fab (light chain): “How the anti-(metal chelate) antibody CHA255 is specific for the metal ion of its antigen: X-ray structures…”. X-ray diffraction, 2 ligands (EOT, IN), 5 pockets (best druggability 0.70). MolNFT…
- PDB
- 1IND
- 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, IN
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | IGG1-lambda CHA255 Fab (light chain) | protein | 211 | 8% helix, 54% strand | — |
| H | IGG1-lambda CHA255 Fab (heavy chain) | protein | 213 | 8% 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
- IN · Indium (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 | 696 | 0.70 | 0.78 | 62 | empty |
| 2 | 104 | 0.49 | 0.81 | 17 | empty |
| 3 | 148 | 0.44 | 0.76 | 25 | empty |
| 4 | 60 | 0.44 | 0.82 | 15 | IN, EOT |
| 5 | 63 | 0.29 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- L–H · 1886 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1IND · 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 1IND · PDBe 1IND
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