MolNFT v1 · #57996 · protein
Crystal structure of the a variant of human ALPHA1-acid glycoprotein and amitriptyline complex
3APV · Alpha-1-acid glycoprotein 2: “Crystal structure of the a variant of human ALPHA1-acid glycoprotein and amitriptyline complex”. X-ray diffraction, 1 ligand (TP0), 1 pocket (best druggability 0.87). MolNFT v1 #57996 on GenesisL1: 3D…
- PDB
- 3APV
- Type
- protein
- Length
- 343 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-1-acid glycoprotein 2
- UniProt
- P19652
- Ligands
- TP0
- Pockets
- 1 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-1-acid glycoprotein 2 | protein | 170 | 25% helix, 41% strand | P19652 |
| B | Alpha-1-acid glycoprotein 2 | protein | 173 | 26% helix, 40% strand | P19652 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1075 | 0.87 | 0.88 | 83 | TP0, ACY |
Interfaces
1 interface between chains.
- A–B · 657 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3APV · Crystal structure of the A variant of human alpha1-acid glycoprotein and amitriptyline… · the same entry in another collection · chain A against A, TM-score 1.00
- P19652 · AlphaFold monomer V2.0 prediction for alpha-1-acid glycoprotein 2 (P19652) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P19652
- Elsewhere: RCSB PDB 3APV · PDBe 3APV · UniProt P19652
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