Research workbench
Crystal structure of human serum albumin complexed with the general anesthetic propofol
Analyse Crystal structure of human serum albumin complexed with the general anesthetic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1E7A
- Type
- protein
- Length
- 1,156 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- PFL
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Serum albumin | protein | 578 | 74% helix, 0% strand | P02768 |
Ligands and binding sites
- PFL · 2,6-bis(1-methylethyl)phenol · ligand · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 905 | 0.84 | 0.85 | 99 | empty |
| 2 | 1137 | 0.83 | 0.83 | 106 | empty |
| 3 | 141 | 0.76 | 0.93 | 22 | PFL |
| 4 | 142 | 0.73 | 0.91 | 22 | PFL |
| 5 | 240 | 0.70 | 0.85 | 25 | PFL |
Modifications
Observed in the structure: 34 disulfide (disulfide).
Compared structures
- 1E7A · Crystal structure of human serum albumin complexed with the general anesthetic propofol · 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 B against A, TM-score 0.98
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 1E7A · PDBe 1E7A · UniProt P02768
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