Research workbench
Putative antitoxin HICB3 from escherichia COLI str. K-12 substr. DH10B
Analyse Putative antitoxin HICB3 from escherichia COLI str. K-12 substr. DH10B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6U0I
- Type
- protein
- Length
- 560 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antitoxin hicb
- UniProt
- C3TAR7
- Ligands
- CL
- Pockets
- 11 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Antitoxin hicb | protein | 141 | 46% helix, 18% strand | C3TAR7 |
| B, D | Antitoxin hicb | protein | 139 | 45% helix, 18% strand | C3TAR7 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 847 | 0.68 | 0.75 | 57 | empty |
| 2 | 110 | 0.49 | 0.81 | 25 | empty |
| 3 | 125 | 0.47 | 0.78 | 22 | empty |
| 4 | 139 | 0.46 | 0.77 | 25 | empty |
| 5 | 124 | 0.45 | 0.78 | 29 | CL |
Interfaces
5 interfaces between chains.
- A–B · 1403 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1389 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 246 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 241 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 43 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 6U0I · Putative Antitoxin HicB3 from Escherichia coli str. K-12 substr. DH10B · 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 C3TAR7
- Elsewhere: RCSB PDB 6U0I · PDBe 6U0I · UniProt C3TAR7
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