2LBU: HADDOCK calculated model of Congo red
HADDOCK calculated model of Congo red bound to the HET-s amyloid. Determined by solid-state NMR. Released 1 Jun 2011.
- Method
- Solid-state NMR
- Organism
- Podospora anserina
- Chains
- 5
- Atoms
- 2,811
- Mol. weight
- 43.99 kDa
- Ligands
- 59P
- Released
- 1 Jun 2011
Explore 2LBU in 3D
Show helices and sheets
RCSB PDB
PDBe
Secondary structure: helices and β-sheets
2LBU contains 2 α-helices and 31 β-strands across 5 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
Chain A: 1 helix, 6 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 226-234 | 9 | 1 |
| β-strand | 238-241 | 4 | 2 |
| β-strand | 244-245 | 2 | 3 |
| α-helix | 247-249 | 3 | |
| β-strand | 262-270 | 9 | 1 |
| β-strand | 274-277 | 4 | 2 |
| β-strand | 280-282 | 3 | 3 |
Chain B: 1 helix, 8 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 226-234 | 9 | 1 |
| β-strand | 238-241 | 4 | 2 |
| β-strand | 244-246 | 3 | 3 |
| α-helix | 247-249 | 3 | |
| β-strand | 262-270 | 9 | 1 |
| β-strand | 274-277 | 4 | 2 |
| β-strand | 280-281 | 2 | 3 |
| β-strand | 286 | 1 | 4 |
| β-strand | 288 | 1 | 4 |
Chain C: 0 helices, 6 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 226-234 | 9 | 1 |
| β-strand | 238-241 | 4 | 2 |
| β-strand | 244-245 | 2 | 3 |
| β-strand | 262-270 | 9 | 1 |
| β-strand | 274-277 | 4 | 2 |
| β-strand | 280-282 | 3 | 3 |
Chain D: 0 helices, 6 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 227-234 | 8 | 1 |
| β-strand | 238-241 | 4 | 2 |
| β-strand | 244-246 | 3 | 3 |
| β-strand | 262-270 | 9 | 1 |
| β-strand | 274-277 | 4 | 2 |
| β-strand | 280-281 | 2 | 3 |
Chain E: 0 helices, 5 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 226-234 | 9 | 1 |
| β-strand | 238-241 | 4 | 2 |
| β-strand | 244-245 | 2 | 3 |
| β-strand | 262-270 | 9 | 1 |
| β-strand | 274-277 | 4 | 2 |
Molecules and chains
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|
| Small s protein | A, B, C, D, E | protein | 79 | Podospora anserina | Q03689 (AlphaFold model) |
Sequence of entity 1 (A, B, C, D, E), FASTA
>2LBU_1 Small s protein (chains A, B, C, D, E)
MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVETVVGKGESRVL
IGNEYGGKGFWDNHHHHHH
Ligands and cofactors
| ID | Name | Formula | Copies |
|---|
| 59P | 3,3'-{[1,1'-biphenyl]-4,4'-diylbis[(E)-diazene-2,1-diyl]}bis(4-aminonaphthalene… | C32 H24 N6 O6 S2 | 1 |
Primary citation
The Amyloid-Congo Red Interface at Atomic Resolution. Schutz, A.K., Soragni, A., Hornemann, S. et al. Angew Chem Int Ed Engl (2011). DOI 10.1002/anie.201008276 · PubMed
Other PDB entries of the same protein (UniProt Q03689 (AlphaFold model), which also has an AlphaFold model), best resolution first:
- 2WVQ 2.0 Å, Structure of the HET-s N-terminal domain. Mutant D23A, P33H
- 2WVN 2.62 Å, Structure of the HET-s N-terminal domain
- 2KJ3 High-resolution structure of the HET-s(218-289) prion in its amyloid form obtained by…
- 2MUS HADDOCK calculated model of LIN5001 bound to the HET-s amyloid
- 2RNM Structure of The HET-s(218-289) prion in its amyloid form obtained by solid-state NMR
Browse structure collections
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