MolNFT v1 · #31182 · protein
Crystal structure of modulator of drug activity B from escherichia COLI O157:H7
2AMJ: “Crystal structure of modulator of drug activity B from escherichia COLI O157:H7”. X-ray diffraction, 8 pockets (best druggability 0.82). MolNFT v1 #31182 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2AMJ
- Type
- protein
- Length
- 718 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Modulator of drug activity B
- UniProt
- P0AEY7
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Modulator of drug activity B | protein | 180 | 38% helix, 20% strand | P0AEY7 |
| B | Modulator of drug activity B | protein | 184 | 38% helix, 20% strand | P0AEY7 |
| C | Modulator of drug activity B | protein | 177 | 37% helix, 19% strand | P0AEY7 |
| D | Modulator of drug activity B | protein | 177 | 38% helix, 19% strand | P0AEY7 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 140 | 0.82 | 0.98 | 23 | empty |
| 2 | 140 | 0.82 | 0.99 | 27 | empty |
| 3 | 784 | 0.68 | 0.75 | 51 | empty |
| 4 | 232 | 0.56 | 0.78 | 24 | empty |
| 5 | 238 | 0.55 | 0.77 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1822 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1655 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 246 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 2AMJ · Crystal Structure of Modulator of Drug Activity B from Escherichia coli O157:H7 · the same entry in another collection · chain D against D, TM-score 1.00
- P0AEY7 · AlphaFold monomer V2.0 prediction for NADPH:QUINONE oxidoreductase mdab (P0AEY7) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P0AEY7
- Elsewhere: RCSB PDB 2AMJ · PDBe 2AMJ · UniProt P0AEY7
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