MolNFT v1 · #136864 · protein
Crystal structure of macrocycles containing abeta 17-23 (LV(PHI)FAED) and abeta 30-36 (AII(SAR)L(ORN)V)
5V65 · Orn-leu-val-phi-phe-ala-glu-asp-orn-ala-ile-ile-sar-leu…: “Crystal structure of macrocycles containing abeta 17-23 (LV(PHI)FAED) and abeta 30-36 (AII(SAR)L(ORN)V)”. X-ray diffraction, 1 pocket (best druggability 0.84). MolNFT v1…
- PDB
- 5V65
- Type
- protein
- Length
- 256 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Orn-leu-val-phi-phe-ala-glu-asp-orn-ala-ile-ile-sar-leu- met-val
- Pockets
- 1 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 63% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P | Orn-leu-val-phi-phe-ala-glu-asp-orn-ala-ile-ile-sar-leu- met-val | protein | 16 | 0% helix, 63% strand | — |
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 | 853 | 0.84 | 0.85 | 86 | empty |
Interfaces
32 interfaces between chains.
- E–F · 242 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 241 Ų buried · 2 hydrogen bonds · protein-protein
- I–K · 241 Ų buried · 3 hydrogen bonds · protein-protein
- L–N · 240 Ų buried · 3 hydrogen bonds · protein-protein
- I–J · 238 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 64 modified (nonstandard, methylation).
Compared structures
- 5V65 · Crystal structure of macrocycles containing Abeta 17-23 (LV(PHI)FAED) and Abeta 30-36… · the same entry in another collection · chain A against A, 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
- Elsewhere: RCSB PDB 5V65 · PDBe 5V65
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