MolNFT v1 · #129725 · protein
Structure of caprine serum albumin in complex with 3,5-diiodosalicylic acid
5OSW: “Structure of caprine serum albumin in complex with 3,5-diiodosalicylic acid”. X-ray diffraction, 3 ligands (DIU, JEF, AE4), 8 pockets (best druggability 0.84). MolNFT v1 #129725 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5OSW
- Type
- protein
- Length
- 583 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Albumin
- UniProt
- B3VHM9
- Ligands
- DIU, JEF, AE4
- Pockets
- 8 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Albumin | protein | 583 | 72% helix, 0% strand | B3VHM9 |
Ligands and binding sites
- DIU · 2-hydroxy-3,5-diiodo-benzoic acid · ligand · 6 copies · chains A
- JEF · O-(O-(2-aminopropyl)-O'-(2-methoxyethyl)polypropylene glycol 500) · ligand · chains A
- AE4 · 3,6,9,12,15-pentaoxaheptadecan-1-ol · ligand · chains A
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1185 | 0.84 | 0.85 | 119 | DIU, JEF, AE4 |
| 2 | 145 | 0.73 | 0.91 | 23 | DIU |
| 3 | 54 | 0.63 | 0.93 | 18 | empty |
| 4 | 56 | 0.52 | 0.87 | 15 | empty |
| 5 | 95 | 0.50 | 0.82 | 16 | DIU |
Modifications
Observed in the structure: 17 disulfide (disulfide).
Compared structures
- 5OSW · Structure of caprine serum albumin in complex with 3,5-diiodosalicylic acid · the same entry in another collection · chain A against A, TM-score 1.00
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 B3VHM9
- Elsewhere: RCSB PDB 5OSW · PDBe 5OSW · UniProt B3VHM9
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