MolNFT v1 · #140858 · protein
Human serum albumin complexed with sodium 4-phenylbutyrate
5YOQ: “Human serum albumin complexed with sodium 4-phenylbutyrate”. X-ray diffraction, 2 ligands (CLT, PO4), 20 pockets (best druggability 0.86). MolNFT v1 #140858 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5YOQ
- Type
- protein
- Length
- 1,134 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- CLT, PO4
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 571 | 70% helix, 0% strand | P02768 |
| B | Serum albumin | protein | 563 | 71% helix, 0% strand | P02768 |
Ligands and binding sites
- CLT · 4-phenyl-butanoic acid · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1033 | 0.86 | 0.87 | 104 | empty |
| 2 | 1167 | 0.83 | 0.84 | 108 | PO4 |
| 3 | 84 | 0.72 | 0.95 | 19 | CLT |
| 4 | 263 | 0.71 | 0.86 | 40 | empty |
| 5 | 90 | 0.71 | 0.94 | 20 | CLT |
Interfaces
1 interface between chains.
- A–B · 637 Ų buried · 4 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 5YOQ · PDBe 5YOQ · UniProt P02768
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