MolNFT v1 · #111949 · protein
Human serum albumin complexed with palmitic acid and diclofenac
4Z69: “Human serum albumin complexed with palmitic acid and diclofenac”. X-ray diffraction, 3 ligands (F15, PLM, DIF), 17 pockets (best druggability 0.87). MolNFT v1 #111949 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Z69
- Type
- protein
- Length
- 1,162 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- F15, PLM, DIF
- Pockets
- 17 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, I | Serum albumin | protein | 581 | 73% helix, 0% strand | P02768 |
Ligands and binding sites
- F15 · Pentadecanoic acid · ligand · 6 copies · chains A, I
- PLM · Palmitic acid · ligand · 4 copies · chains A, I
- DIF · 2-[2,6-dichlorophenyl)amino]benzeneacetic acid · ligand · 4 copies · chains A, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 613 | 0.87 | 0.92 | 68 | F15, PLM |
| 2 | 787 | 0.87 | 0.89 | 80 | F15, PLM, DIF |
| 3 | 580 | 0.82 | 0.87 | 50 | DIF |
| 4 | 445 | 0.81 | 0.89 | 43 | DIF |
| 5 | 334 | 0.81 | 0.90 | 38 | PLM |
Interfaces
1 interface between chains.
- A–I · 168 Ų buried · 2 hydrogen bonds · protein-protein
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 4Z69 · PDBe 4Z69 · UniProt P02768
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