MolNFT v1 · #86893 · protein
Recombinant human serum albumin with palmitic acid. synthetic cationic antimicrobial peptides bind with their hydrophobic parts to drug site II of human serum albumin
4BKE: “Recombinant human serum albumin with palmitic acid. synthetic cationic antimicrobial peptides bind with their…”. X-ray diffraction, 1 ligand (PLM), 7 pockets (best druggability 0.89). MolNFT v1 #86893 on GenesisL1: 3D structure…
- PDB
- 4BKE
- Type
- protein
- Length
- 582 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- PLM
- Pockets
- 7 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 582 | 73% helix, 0% strand | P02768 |
Ligands and binding sites
- PLM · Palmitic acid · ligand · 7 copies · 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 | 1045 | 0.89 | 0.91 | 106 | PLM |
| 2 | 321 | 0.79 | 0.89 | 44 | PLM |
| 3 | 297 | 0.75 | 0.87 | 28 | PLM |
| 4 | 364 | 0.69 | 0.81 | 44 | PLM |
| 5 | 127 | 0.62 | 0.86 | 21 | PLM |
Modifications
Observed in the structure: 17 disulfide (disulfide).
Compared structures
- 4BKE · Recombinant human serum albumin with palmitic acid. Synthetic cationic antimicrobial… · the same entry in another collection · chain A against A, TM-score 1.00
- P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain A against A, TM-score 0.85
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 4BKE · PDBe 4BKE · UniProt P02768
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