MolNFT v1 · #14752 · protein + DNA
Methionine aporepressor mutant (Q44K) complexed to the minimal met consensus operator
1MJP · Consensus operator duplex: “Methionine aporepressor mutant (Q44K) complexed to the minimal met consensus operator”. X-ray diffraction, 7 pockets (best druggability 0.47). MolNFT v1 #14752 on GenesisL1: 3D structure, binding sites…
- PDB
- 1MJP
- Type
- protein + DNA
- Length
- 227 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Consensus operator duplex; Methionine repressor
- UniProt
- P0A8U6
- Pockets
- 7 · best druggability 0.47
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Consensus operator duplex | dna | 10 | — | — |
| D | Consensus operator duplex | dna | 9 | — | — |
| A, B | Methionine repressor | protein | 104 | 44% helix, 11% strand | P0A8U6 |
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 | 82 | 0.47 | 0.82 | 15 | empty |
| 2 | 110 | 0.47 | 0.80 | 25 | empty |
| 3 | 75 | 0.46 | 0.82 | 14 | empty |
| 4 | 89 | 0.43 | 0.79 | 19 | empty |
| 5 | 137 | 0.42 | 0.76 | 20 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1595 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 406 Ų buried · 41 hydrogen bonds · nucleic-nucleic
- C–B · 373 Ų buried · 13 hydrogen bonds · protein-nucleic
- D–A · 247 Ų buried · 9 hydrogen bonds · protein-nucleic
- D–B · 212 Ų buried · 4 hydrogen bonds · protein-nucleic
Compared structures
- 1MJP · Methionine aporepressor mutant (Q44K) complexed to the minimal met consensus operator · the same entry in another collection · chain C against C, TM-score 1.00
- P0A8U6 · AlphaFold monomer V2.0 prediction for met repressor (P0A8U6) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P0A8U6
- Elsewhere: RCSB PDB 1MJP · PDBe 1MJP · UniProt P0A8U6
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