Research workbench
Acinetobacter sp. tol 5 ataa ydd-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CSTALKC1I)
Analyse Acinetobacter sp. tol 5 ataa ydd-DALL3 domains in C-terminal stalk fused to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WPO
- Type
- protein
- Length
- 582 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trimeric autotransporter adhesin
- UniProt
- K7ZP88
- Ligands
- CL
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trimeric autotransporter adhesin | protein | 193 | 48% helix, 16% strand | K7ZP88 |
| B | Trimeric autotransporter adhesin | protein | 196 | 50% helix, 16% strand | K7ZP88 |
| C | Trimeric autotransporter adhesin | protein | 193 | 50% helix, 15% strand | K7ZP88 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.79 | 0.97 | 23 | empty |
| 2 | 130 | 0.78 | 0.96 | 20 | empty |
| 3 | 55 | 0.31 | 0.76 | 12 | empty |
Interfaces
3 interfaces between chains.
- A–B · 4704 Ų buried · 63 hydrogen bonds · protein-protein
- B–C · 4656 Ų buried · 66 hydrogen bonds · protein-protein
- A–C · 4618 Ų buried · 65 hydrogen bonds · protein-protein
Compared structures
- 3WPO · Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors… · 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
- Every structure of UniProt K7ZP88
- Elsewhere: RCSB PDB 3WPO · PDBe 3WPO · UniProt K7ZP88
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