MolNFT v1 · #43756 · protein
Structural model for a 40-residue beta-amyloid fibril with two-fold symmetry, negative stagger
2LMO · Beta-amyloid protein 40: “Structural model for a 40-residue beta-amyloid fibril with two-fold symmetry, negative stagger”. Solid-state nmr, 6 pockets (best druggability 0.75). MolNFT v1 #43756 on GenesisL1: 3D structure, binding…
- PDB
- 2LMO
- Type
- protein
- Length
- 384 residues
- Chains
- 12
- Method
- solid-state nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-amyloid protein 40
- UniProt
- P05067
- Pockets
- 6 · best druggability 0.75
Structure
solid-state nmr · 1 distinct chain · 0% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Beta-amyloid protein 40 | protein | 32 | 0% helix, 34% strand | P05067 |
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 | 199 | 0.75 | 0.91 | 43 | empty |
| 2 | 232 | 0.71 | 0.86 | 58 | empty |
| 3 | 423 | 0.66 | 0.79 | 47 | empty |
| 4 | 372 | 0.64 | 0.79 | 49 | empty |
| 5 | 357 | 0.61 | 0.78 | 44 | empty |
Interfaces
36 interfaces between chains.
- E–F · 1414 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 1384 Ų buried · 26 hydrogen bonds · protein-protein
- B–C · 1381 Ų buried · 23 hydrogen bonds · protein-protein
- I–J · 1377 Ų buried · 30 hydrogen bonds · protein-protein
- D–E · 1273 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 2LMO · Structural Model for a 40-Residue Beta-Amyloid Fibril with Two-Fold Symmetry, Negative… · the same entry in another collection · chain I against I, TM-score 1.00
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 P05067
- Elsewhere: RCSB PDB 2LMO · PDBe 2LMO · UniProt P05067
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