MolNFT v1 · #129498 · protein
Crystal structure of ALPHA1-antichymotrypsin variant dbs-II: a drug- binding serpin for doxorubicin
5OM7 · Alpha-1-antichymotrypsin: “Crystal structure of ALPHA1-antichymotrypsin variant dbs-II: a drug- binding serpin for doxorubicin”. X-ray diffraction, 1 ligand (DM2), 2 pockets (best druggability 0.48). MolNFT v1 #129498 on GenesisL1…
- PDB
- 5OM7
- Type
- protein
- Length
- 371 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-1-antichymotrypsin
- UniProt
- P01011
- Ligands
- DM2
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-1-antichymotrypsin | protein | 338 | 36% helix, 37% strand | P01011 |
| B | Alpha-1-antichymotrypsin | protein | 33 | 0% helix, 52% strand | P01011 |
Ligands and binding sites
- DM2 · Doxorubicin · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 106 | 0.48 | 0.80 | 18 | DM2 |
| 2 | 56 | 0.39 | 0.81 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2438 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 5OM7 · Crystal structure of Alpha1-antichymotrypsin variant DBS-II: a drug-binding serpin for… · the same entry in another collection · chain A against A, TM-score 1.00
- P01011 · AlphaFold monomer V2.0 prediction for alpha-1-antichymotrypsin (P01011) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P01011
- Elsewhere: RCSB PDB 5OM7 · PDBe 5OM7 · UniProt P01011
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.