MolNFT v1 · #146755 · protein
X-ray crystallographic structure of a covalent trimer derived from a- beta 17_36 containing the I31CHG point mutation
6DR5 · Ort-cys-val-phe-mea-cys-glu-asp-ort-ala-chg-ile-gly-leu…: “X-ray crystallographic structure of a covalent trimer derived from a- beta 17_36 containing the I31CHG point…”. X-ray diffraction, 1 pocket (best druggability 0.40). MolNFT…
- PDB
- 6DR5
- Type
- protein
- Length
- 96 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ort-cys-val-phe-mea-cys-glu-asp-ort-ala-chg-ile-gly-leu- ora-val
- Pockets
- 1 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 69% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Ort-cys-val-phe-mea-cys-glu-asp-ort-ala-chg-ile-gly-leu- ora-val | protein | 16 | 0% helix, 69% strand | — |
Ligands and binding sites
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains B, C, D, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.40 | 0.77 | 17 | empty |
Interfaces
8 interfaces between chains.
- B–F · 249 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 224 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 200 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 198 Ų buried · 2 hydrogen bonds · protein-protein
- B–E · 196 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified, 3 disulfide (nonstandard, disulfide).
Compared structures
- 6DR5 · X-ray crystallographic structure of a covalent trimer derived from A-beta 17_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 6DR5 · PDBe 6DR5
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