Research workbench
Crystal structure of human serum albumin complexed with the general anesthetic halothane
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
- 1E7B
- Type
- protein
- Length
- 1,154 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- HLT
- Pockets
- 19 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 578 | 72% helix, 0% strand | P02768 |
| B | Serum albumin | protein | 576 | 71% helix, 0% strand | P02768 |
Ligands and binding sites
- HLT · 2-bromo-2-chloro-1,1,1-trifluoroethane · ligand · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 783 | 0.84 | 0.87 | 95 | HLT |
| 2 | 594 | 0.79 | 0.85 | 64 | empty |
| 3 | 736 | 0.72 | 0.78 | 61 | empty |
| 4 | 155 | 0.72 | 0.90 | 23 | HLT |
| 5 | 165 | 0.70 | 0.89 | 26 | HLT |
Modifications
Observed in the structure: 33 disulfide (disulfide).
Compared structures
- 1E7B · Crystal structure of human serum albumin complexed with 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 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 1E7B · PDBe 1E7B · UniProt P02768
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