MolNFT v2 · #148851 · protein
Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes3/Imdes3
6ERE: “Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes3/Imdes3”. X-ray diffraction at 2.25, 1 ligand (PO4), 4 pockets (best druggability 0.38). MolNFT v2 #148851 on GenesisL1: 3D structure…
- PDB
- 6ERE
- Type
- protein
- Length
- 425 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.25
- Source
- Escherichia coli
- Molecule
- colicin; Immunity
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.38
Structure
x-ray diffraction · resolution 2.25 · 4 distinct chains · 47% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | colicin | protein | 126 | 37% helix, 17% strand | — |
| C | Immunity | protein | 87 | 60% helix, 2% strand | — |
| D | Immunity | protein | 83 | 63% helix, 2% strand | — |
| A | colicin | protein | 129 | 38% helix, 17% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.38 | 0.74 | 16 | empty |
| 2 | 90 | 0.36 | 0.75 | 21 | empty |
| 3 | 80 | 0.33 | 0.74 | 21 | empty |
| 4 | 84 | 0.31 | 0.73 | 21 | empty |
Interfaces
3 interfaces between chains.
- D–A · 838 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 793 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 308 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6ERE · Crystal structure of a computationally designed colicin endonuclease and immunity pair… · 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 6ERE · PDBe 6ERE
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