MolNFT v1 · #32670 · protein
Human serum albumin complexed with diflunisal
2BXE: “Human serum albumin complexed with diflunisal”. X-ray diffraction, 1 ligand (1FL), 19 pockets (best druggability 0.84). MolNFT v1 #32670 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BXE
- Type
- protein
- Length
- 1,135 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- 1FL
- Pockets
- 19 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 569 | 74% helix, 0% strand | P02768 |
| B | Serum albumin | protein | 566 | 72% helix, 0% strand | P02768 |
Ligands and binding sites
- 1FL · 5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid · 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, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 752 | 0.84 | 0.87 | 77 | 1FL |
| 2 | 938 | 0.81 | 0.83 | 83 | 1FL |
| 3 | 138 | 0.71 | 0.91 | 21 | 1FL |
| 4 | 146 | 0.69 | 0.89 | 24 | 1FL |
| 5 | 609 | 0.69 | 0.78 | 49 | empty |
Modifications
Observed in the structure: 34 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 2BXE · PDBe 2BXE · UniProt P02768
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