MolNFT v1 · #99750 · protein
P. vulgaris higba structure, crystal form 1
4MCT · Antidote protein: “P. vulgaris higba structure, crystal form 1”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #99750 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MCT
- Type
- protein
- Length
- 369 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antidote protein; Killer protein
- UniProt
- Q7A224, Q7A225
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antidote protein | protein | 92 | 57% helix, 0% strand | Q7A224 |
| B | Killer protein | protein | 91 | 31% helix, 30% strand | Q7A225 |
| C | Antidote protein | protein | 93 | 59% helix, 0% strand | Q7A224 |
| D | Killer protein | protein | 93 | 33% helix, 31% strand | Q7A225 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 703 | 0.69 | 0.77 | 61 | empty |
| 2 | 80 | 0.38 | 0.77 | 16 | empty |
| 3 | 64 | 0.33 | 0.76 | 17 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1324 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1022 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1014 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 99 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 59 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 4MCT · P. vulgaris HIGBA structure, crystal form 1 · the same entry in another collection · chain D against D, TM-score 1.00
- Q7A224 · AlphaFold monomer V2.0 prediction for antitoxin higa (Q7A224) · a predicted model of the same protein · chain C against A, TM-score 0.96
- Q7A225 · AlphaFold monomer V2.0 prediction for endoribonuclease higb (Q7A225) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q7A224
- Every structure of UniProt Q7A225
- Elsewhere: RCSB PDB 4MCT · PDBe 4MCT · UniProt Q7A224 · UniProt Q7A225
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