MolNFT v1 · #98414 · protein
X-ray study of human serum albumin complexed with 9 amino camptothecin
4L8U: “X-ray study of human serum albumin complexed with 9 amino camptothecin”. X-ray diffraction, 2 ligands (MYR, 9AZ), 7 pockets (best druggability 0.88). MolNFT v1 #98414 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4L8U
- Type
- protein
- Length
- 583 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- MYR, 9AZ
- Pockets
- 7 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 583 | 75% helix, 0% strand | P02768 |
Ligands and binding sites
- MYR · Myristic acid · ligand · 5 copies · chains A
- 9AZ · (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid · ligand · 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1082 | 0.88 | 0.89 | 102 | MYR |
| 2 | 332 | 0.80 | 0.90 | 44 | MYR |
| 3 | 723 | 0.72 | 0.78 | 65 | 9AZ |
| 4 | 248 | 0.70 | 0.85 | 30 | MYR |
| 5 | 108 | 0.60 | 0.86 | 20 | MYR |
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 4L8U · PDBe 4L8U · UniProt P02768
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