MolNFT v1 · #63912 · protein
Crystal structure of hapten complex of catalytic elimination antibody 13G5 (wild-type)
3FO0 · Catalytic antibody Fab 13G5 kappa light chain chimera: “Crystal structure of hapten complex of catalytic elimination antibody 13G5 (wild-type)”. X-ray diffraction, 1 ligand (BZH), 3 pockets (best druggability 0.67). MolNFT v1 #63912…
- PDB
- 3FO0
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catalytic antibody Fab 13G5 kappa light chain chimera; Catalytic antibody Fab 13G5 IGG2B…
- Ligands
- BZH
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Catalytic antibody Fab 13G5 kappa light chain chimera | protein | 216 | 5% helix, 52% strand | — |
| H | Catalytic antibody Fab 13G5 IGG2B heavy chain chimera | protein | 214 | 6% helix, 52% strand | — |
Ligands and binding sites
- BZH · 5-[(2-amino-1H-benzimidazol-6-yl)amino]-5-oxopentanoic acid · ligand · chains L, H
- GOL · Glycerol · additive · chains H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 804 | 0.67 | 0.75 | 66 | empty |
| 2 | 73 | 0.59 | 0.89 | 20 | BZH |
| 3 | 99 | 0.36 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- L–H · 1827 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3FO0 · Crystal structure of hapten complex of catalytic elimination antibody 13G5 (wild-type) · 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 3FO0 · PDBe 3FO0
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