Research workbench
Crystal structure of maca-mexa chimeric protein, containing the pseudomonas aeruginosa mexa alpha-hairpin domain.
Analyse Crystal structure of maca-mexa chimeric protein, containing the pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4DK1
- Type
- protein
- Length
- 1,117 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative maca, multidrug resistance protein mexa
- UniProt
- Q2EHL9, P52477
- Pockets
- 15 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 19% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative maca, multidrug resistance protein mexa | protein | 276 | 19% helix, 18% strand | Q2EHL9, P52477 |
| B | Putative maca, multidrug resistance protein mexa | protein | 285 | 18% helix, 20% strand | Q2EHL9, P52477 |
| C | Putative maca, multidrug resistance protein mexa | protein | 278 | 19% helix, 19% strand | Q2EHL9, P52477 |
| D | Putative maca, multidrug resistance protein mexa | protein | 278 | 19% helix, 19% strand | Q2EHL9, P52477 |
Pockets
15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 211 | 0.68 | 0.86 | 34 | empty |
| 2 | 55 | 0.60 | 0.92 | 27 | empty |
| 3 | 137 | 0.59 | 0.84 | 32 | empty |
| 4 | 343 | 0.58 | 0.76 | 41 | empty |
| 5 | 322 | 0.58 | 0.77 | 40 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1781 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1777 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 257 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 251 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 171 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 4DK1 · Crystal Structure of MacA-MexA chimeric protein, containing the Pseudomonas aeruginosa… · the same entry in another collection · chain D against D, TM-score 1.00
- P52477 · AlphaFold monomer V2.0 prediction for multidrug resistance protein mexa (P52477) · a predicted model of the same protein · chain B against A, TM-score 0.84
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 Q2EHL9
- Every structure of UniProt P52477
- Elsewhere: RCSB PDB 4DK1 · PDBe 4DK1 · UniProt Q2EHL9 · UniProt P52477
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