Research workbench
Crystal structures of designed armadillo repeat proteins: implications of construct design and crystallization conditions on overall structure.
Analyse Crystal structures of designed armadillo repeat proteins: implications of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PLS
- Type
- protein
- Length
- 1,121 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ARM00010
- Ligands
- CA
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | ARM00010 | protein | 280 | 78% helix, 0% strand | — |
| B | ARM00010 | protein | 281 | 74% helix, 0% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 10 copies · chains A, C, D, B
- ACT · Acetate ion · additive · 2 copies · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1017 | 0.72 | 0.76 | 79 | empty |
| 2 | 276 | 0.56 | 0.77 | 36 | empty |
| 3 | 260 | 0.55 | 0.77 | 34 | empty |
| 4 | 87 | 0.39 | 0.78 | 21 | empty |
| 5 | 65 | 0.35 | 0.78 | 16 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1819 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1802 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 1357 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 1190 Ų buried · 32 hydrogen bonds · protein-protein
- A–D · 440 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4PLS · Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct… · 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 4PLS · PDBe 4PLS
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