MolNFT v1 · #28921 · protein
Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed against BCL-xl and BCL-2
1YSX: “Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed…”. Solution nmr, 1 ligand (4EB), 3 pockets (best druggability 0.78). MolNFT v1 #28921 on GenesisL1: 3D structure, binding sites…
- PDB
- 1YSX
- Type
- protein
- Length
- 200 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- 4EB
- Pockets
- 3 · best druggability 0.78
Structure
solution nmr · 1 distinct chain · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 200 | 67% helix, 0% strand | P02768 |
Ligands and binding sites
- 4EB · 4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-N-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitrobenzenesulfonamide · ligand · chains A
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 | 788 | 0.78 | 0.81 | 52 | 4EB |
| 2 | 1067 | 0.75 | 0.78 | 77 | empty |
| 3 | 52 | 0.45 | 0.84 | 17 | empty |
Compared structures
- 1YSX · Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic… · the same entry in another collection · chain A against A, TM-score 1.00
- P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain A against A, TM-score 0.80
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 P02768
- Elsewhere: RCSB PDB 1YSX · PDBe 1YSX · UniProt P02768
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