MolNFT v1 · #151488 · protein
Crystal structure of the E.COLI hicab toxin-antitoxin complex
6HPB · MRNA interferase toxin hica: “Crystal structure of the E.COLI hicab toxin-antitoxin complex”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.46). MolNFT v1 #151488 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6HPB
- Type
- protein
- Length
- 385 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MRNA interferase toxin hica; Antitoxin hicb
- EC
- 3.1.-.-
- UniProt
- P76106, P67697
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.46
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MRNA interferase toxin hica (EC 3.1.-.-) | protein | 57 | 35% helix, 23% strand | P76106 |
| B, D | Antitoxin hicb | protein | 138 | 46% helix, 17% strand | P67697 |
| C | MRNA interferase toxin hica (EC 3.1.-.-) | protein | 52 | 23% helix, 29% strand | P76106 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.46 | 0.81 | 15 | empty |
| 2 | 64 | 0.38 | 0.78 | 13 | empty |
| 3 | 78 | 0.33 | 0.75 | 17 | empty |
| 4 | 61 | 0.32 | 0.76 | 16 | empty |
| 5 | 68 | 0.31 | 0.74 | 10 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1340 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1029 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 946 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 6HPB · Crystal structure of the E.coli HicAB toxin-antitoxin complex · the same entry in another collection · chain A against A, TM-score 1.00
- P67697 · AlphaFold monomer V2.0 prediction for antitoxin hicb (P67697) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P76106 · AlphaFold monomer V2.0 prediction for probable mRNA interferase toxin hica (P76106) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P76106
- Every structure of UniProt P67697
- Elsewhere: RCSB PDB 6HPB · PDBe 6HPB · UniProt P76106 · UniProt P67697
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