MolNFT v1 · #2719 · protein
Decarboxylase catalytic antibody 21D8-hapten complex
1C5C · Chimeric decarboxylase antibody 21D8: “Decarboxylase catalytic antibody 21D8-hapten complex”. X-ray diffraction, 1 ligand (TK4), 4 pockets (best druggability 0.63). MolNFT v1 #2719 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1C5C
- Type
- protein
- Length
- 429 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chimeric decarboxylase antibody 21D8
- Ligands
- TK4
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Chimeric decarboxylase antibody 21D8 | protein | 214 | 6% helix, 50% strand | — |
| H | Chimeric decarboxylase antibody 21D8 | protein | 215 | 11% helix, 51% strand | — |
Ligands and binding sites
- TK4 · 2-acetylamino-napthalene-1,5-disulfonic acid · ligand · chains L, H
- GOL · Glycerol · additive · 2 copies · chains L, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.63 | 0.86 | 22 | TK4 |
| 2 | 244 | 0.56 | 0.78 | 29 | empty |
| 3 | 408 | 0.56 | 0.74 | 53 | empty |
| 4 | 81 | 0.33 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- L–H · 1779 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1C5C · Decarboxylase catalytic antibody 21D8-hapten complex · 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 1C5C · PDBe 1C5C
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