MolNFT v1 · #100373 · protein
Crystal structure of an engineered lipocalin (anticalin US7) in complex with the alzheimer amyloid peptide fragment vffaed
4MVK · Neutrophil gelatinase-associated lipocalin: “Crystal structure of an engineered lipocalin (anticalin US7) in complex with the alzheimer amyloid peptide…”. X-ray diffraction, 2 ligands (ACE, NH2), 1 pocket (best druggability 0.51).…
- PDB
- 4MVK
- Type
- protein
- Length
- 177 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neutrophil gelatinase-associated lipocalin; Amyloid peptide fragment vffaed
- UniProt
- P80188, P05067
- Ligands
- ACE, NH2
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neutrophil gelatinase-associated lipocalin | protein | 171 | 13% helix, 42% strand | P80188 |
| B | Amyloid peptide fragment vffaed | protein | 6 | 0% helix, 0% strand | P05067 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.51 | 0.81 | 25 | NH2 |
Interfaces
1 interface between chains.
- A–B · 603 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).
Compared structures
- 4MVK · Crystal structure of an engineered lipocalin (Anticalin US7) in complex with the… · the same entry in another collection · chain A against A, TM-score 1.00
- P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain B against A, TM-score 0.34
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 P80188
- Every structure of UniProt P05067
- Elsewhere: RCSB PDB 4MVK · PDBe 4MVK · UniProt P80188 · UniProt P05067
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