MolNFT v1 · #5084 · protein
Crystal structure of human serum albumin complexed with the general anesthetic propofol
1E7A: “Crystal structure of human serum albumin complexed with the general anesthetic propofol”. X-ray diffraction, 1 ligand (PFL), 20 pockets (best druggability 0.84). MolNFT v1 #5084 on GenesisL1: 3D structure, binding sites and pockets…
- 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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