Research workbench
Crystal structure of human serum albumin in complex with gemfibrozil
Analyse Crystal structure of human serum albumin in complex with gemfibrozil in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7QFE
- Type
- protein
- Length
- 581 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- MYR, 4TX, PO4
- Pockets
- 7 · best druggability 0.91
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 581 | 73% helix, 0% strand | P02768 |
Ligands and binding sites
- MYR · Myristic acid · ligand · 2 copies · chains A
- 4TX · 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid · ligand · 2 copies · chains A
- PO4 · Phosphate ion · ion · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 6 copies · chains A
- PGE · Triethylene glycol · additive · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1161 | 0.91 | 0.92 | 129 | MYR, 4TX, PG4, MPD, PO4 |
| 2 | 237 | 0.74 | 0.88 | 35 | empty |
| 3 | 580 | 0.74 | 0.81 | 51 | PGE, MPD |
| 4 | 230 | 0.58 | 0.79 | 23 | MPD |
| 5 | 99 | 0.45 | 0.79 | 12 | MPD |
Modifications
Observed in the structure: 17 disulfide (disulfide).
Compared structures
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 7QFE · PDBe 7QFE · UniProt P02768
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