Research workbench
Crystal structure of computationally designed protein aaa
Analyse Crystal structure of computationally designed protein aaa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NX2
- Type
- protein
- Length
- 267 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Design construct aaa
- Ligands
- BR
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 93% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Design construct aaa | protein | 89 | 93% helix, 0% strand | — |
Ligands and binding sites
- BR · Bromide ion · ion · 2 copies · chains A, B, C
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 | 221 | 0.55 | 0.78 | 33 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1268 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 1266 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 1252 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6NX2 · Crystal structure of computationally designed protein AAA · 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 6NX2 · PDBe 6NX2
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