MolNFT v1 · #169680 · protein
Albumin-dexamethasone complex
6XK0: “Albumin-dexamethasone complex”. X-ray diffraction, 3 ligands (DEX, MYR, UNX), 7 pockets (best druggability 0.79). MolNFT v1 #169680 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6XK0
- Type
- protein
- Length
- 581 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Albumin
- UniProt
- P35747
- Ligands
- DEX, MYR, UNX
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Albumin | protein | 581 | 75% helix, 0% strand | P35747 |
Ligands and binding sites
- DEX · Dexamethasone · ligand · chains A
- MYR · Myristic acid · ligand · chains A
- UNX · Unknown atom or ion · ion · 4 copies · chains A
- FLC · Citrate anion · additive · 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 | 1055 | 0.79 | 0.81 | 62 | empty |
| 2 | 561 | 0.78 | 0.84 | 60 | FLC, MYR |
| 3 | 285 | 0.68 | 0.83 | 42 | empty |
| 4 | 112 | 0.65 | 0.89 | 26 | empty |
| 5 | 321 | 0.59 | 0.77 | 28 | DEX |
Modifications
Observed in the structure: 17 disulfide, 1 modified (disulfide, oxidation).
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 P35747
- Elsewhere: RCSB PDB 6XK0 · PDBe 6XK0 · UniProt P35747
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