MolNFT v1 · #170052 · protein
Lauric acid functionalized hexamolybdoaluminate bound to human serum albumin
6XV0: “Lauric acid functionalized hexamolybdoaluminate bound to human serum albumin”. X-ray diffraction, 2 ligands (MYR, M6O), 6 pockets (best druggability 0.88). MolNFT v1 #170052 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6XV0
- Type
- protein
- Length
- 581 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- MYR, M6O
- Pockets
- 6 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 581 | 69% helix, 0% strand | P02768 |
Ligands and binding sites
- MYR · Myristic acid · ligand · 6 copies · chains A
- M6O · lauric acid functionalized hexamolybdoaluminate · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1094 | 0.88 | 0.89 | 115 | MYR |
| 2 | 340 | 0.80 | 0.90 | 40 | MYR |
| 3 | 395 | 0.75 | 0.85 | 35 | MYR |
| 4 | 269 | 0.70 | 0.84 | 34 | MYR |
| 5 | 151 | 0.57 | 0.82 | 20 | MYR |
Modifications
Observed in the structure: 17 disulfide, 1 covalent (disulfide, covalent ligand).
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 6XV0 · PDBe 6XV0 · UniProt P02768
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