MolNFT v1 · #5086 · protein
Human serum albumin complexed with myristic acid and the general anesthetic halothane
1E7C: “Human serum albumin complexed with myristic acid and the general anesthetic halothane”. X-ray diffraction, 2 ligands (HLT, MYR), 10 pockets (best druggability 0.87). MolNFT v1 #5086 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1E7C
- Type
- protein
- Length
- 582 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- HLT, MYR
- Pockets
- 10 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 582 | 74% helix, 0% strand | P02768 |
Ligands and binding sites
- HLT · 2-bromo-2-chloro-1,1,1-trifluoroethane · ligand · 7 copies · chains A
- MYR · Myristic acid · ligand · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 486 | 0.87 | 0.93 | 59 | MYR |
| 2 | 306 | 0.84 | 0.94 | 39 | MYR, HLT |
| 3 | 166 | 0.76 | 0.92 | 22 | HLT |
| 4 | 448 | 0.75 | 0.84 | 36 | MYR, HLT |
| 5 | 218 | 0.74 | 0.88 | 30 | MYR |
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 1E7C · HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID and the general anesthetic halothane · 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 0.84
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 1E7C · PDBe 1E7C · UniProt P02768
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.