Research workbench
Catalytic antibody 7C8 complex
Analyse Catalytic antibody 7C8 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CT8
- Type
- protein
- Length
- 868 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 7C8 Fab fragment
- Ligands
- TAA, SO4
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | 7C8 Fab fragment | protein | 214 | 6% helix, 50% strand | — |
| B, D | 7C8 Fab fragment | protein | 220 | 5% helix, 50% strand | — |
Ligands and binding sites
- TAA · [4-(2,2,2-trifluoro-acetylamino)-benzyl]-phosphonic acid mono-[2-(2,2-dichloro-1-hydroxy-ethylamino)-3-hydroxy-1-(4-nitro-phenyl)-propyl] ester · ligand · 2 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 2 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 778 | 0.73 | 0.78 | 49 | SO4, TAA |
| 2 | 670 | 0.65 | 0.74 | 66 | empty |
| 3 | 183 | 0.56 | 0.80 | 40 | empty |
| 4 | 344 | 0.54 | 0.74 | 42 | empty |
| 5 | 157 | 0.51 | 0.79 | 32 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1881 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1850 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 154 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 33 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1CT8 · Catalytic antibody 7C8 complex · the same entry in another collection · chain A against A, 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 1CT8 · PDBe 1CT8
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