Research workbench
Contact-dependent growth inhibition toxin-immunity protein complex from from E. COLI 3006
Analyse Contact-dependent growth inhibition toxin-immunity protein complex from from E.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CP8
- Type
- protein
- Length
- 639 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cdia; Cdii
- UniProt
- A0A2A2CAY5, A0A2A2C800
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 61% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cdia | protein | 162 | 45% helix, 28% strand | A0A2A2CAY5 |
| C | Cdii | protein | 158 | 68% helix, 0% strand | A0A2A2C800 |
| D | Cdii | protein | 157 | 70% helix, 0% strand | A0A2A2C800 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, C, B, D
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1024 | 0.83 | 0.84 | 110 | empty |
| 2 | 68 | 0.61 | 0.91 | 24 | empty |
| 3 | 112 | 0.61 | 0.87 | 24 | GOL |
| 4 | 59 | 0.55 | 0.89 | 20 | empty |
| 5 | 189 | 0.51 | 0.77 | 25 | empty |
Interfaces
4 interfaces between chains.
- A–C · 2023 Ų buried · 34 hydrogen bonds · protein-protein
- B–D · 1942 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 602 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 210 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 6CP8 · Contact-dependent growth inhibition toxin-immunity protein complex from from E. coli 3006 · 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 A0A2A2CAY5
- Every structure of UniProt A0A2A2C800
- Elsewhere: RCSB PDB 6CP8 · PDBe 6CP8 · UniProt A0A2A2CAY5 · UniProt A0A2A2C800
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