MolNFT v1 · #20572 · protein
Anti-cocaine antibody M82G2 complexed with meta- oxybenzoylecgonine
1RIV · Fab M82G2, light chain: “Anti-cocaine antibody M82G2 complexed with meta- oxybenzoylecgonine”. X-ray diffraction, 1 ligand (OBE), 6 pockets (best druggability 0.46). MolNFT v1 #20572 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1RIV
- Type
- protein
- Length
- 438 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab M82G2, light chain; Fab M82G2, heavy chain
- Ligands
- OBE
- Pockets
- 6 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Fab M82G2, light chain | protein | 218 | 6% helix, 50% strand | — |
| H | Fab M82G2, heavy chain | protein | 220 | 10% helix, 52% strand | — |
Ligands and binding sites
- OBE · 3-(3-hydroxy-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid · ligand · chains L, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.46 | 0.74 | 33 | empty |
| 2 | 115 | 0.45 | 0.78 | 19 | OBE |
| 3 | 138 | 0.42 | 0.75 | 24 | empty |
| 4 | 90 | 0.33 | 0.74 | 18 | empty |
| 5 | 88 | 0.32 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- L–H · 1767 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1RIV · Anti-Cocaine Antibody M82G2 Complexed With meta-Oxybenzoylecgonine · 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 1RIV · PDBe 1RIV
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