MolNFT v1 · #54660 · protein
Human serum albumin complexed with dansyl-L-asparagine
2XVU: “Human serum albumin complexed with dansyl-L-asparagine”. X-ray diffraction, 1 ligand (9DN), 15 pockets (best druggability 0.81). MolNFT v1 #54660 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2XVU
- Type
- protein
- Length
- 1,117 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- 9DN
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 560 | 73% helix, 0% strand | P02768 |
| B | Serum albumin | protein | 557 | 71% helix, 0% strand | P02768 |
Ligands and binding sites
- 9DN · Dansyl-L-asparagine · ligand · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 751 | 0.81 | 0.84 | 85 | 9DN |
| 2 | 845 | 0.80 | 0.82 | 85 | 9DN |
| 3 | 205 | 0.74 | 0.89 | 29 | 9DN |
| 4 | 196 | 0.73 | 0.89 | 26 | 9DN |
| 5 | 661 | 0.70 | 0.77 | 54 | empty |
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 2XVU · PDBe 2XVU · UniProt P02768
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