MolNFT v1 · #18922 · protein
Crystal structure of the C. albicans MTR2-MEX67 M domain complex
1Q40 · MRNA transport regulator MTR2: “Crystal structure of the C. albicans MTR2-MEX67 M domain complex”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #18922 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1Q40
- Type
- protein
- Length
- 690 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MRNA transport regulator MTR2; MRNA export factor MEX67
- UniProt
- P84148
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 21% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MRNA transport regulator MTR2 | protein | 165 | 16% helix, 36% strand | P84148 |
| B | MRNA export factor MEX67 | protein | 186 | 23% helix, 28% strand | P84148 |
| C | MRNA transport regulator MTR2 | protein | 164 | 16% helix, 37% strand | P84148 |
| D | MRNA export factor MEX67 | protein | 175 | 29% helix, 32% strand | P84148 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 373 | 0.76 | 0.87 | 54 | GOL |
| 2 | 368 | 0.61 | 0.77 | 49 | empty |
| 3 | 67 | 0.40 | 0.80 | 15 | empty |
| 4 | 84 | 0.37 | 0.76 | 14 | empty |
| 5 | 83 | 0.35 | 0.75 | 12 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1745 Ų buried · 32 hydrogen bonds · protein-protein
- C–D · 1707 Ų buried · 30 hydrogen bonds · protein-protein
- B–D · 849 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 127 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 1Q40 · Crystal structure of the C. albicans Mtr2-Mex67 M domain complex · the same entry in another collection · chain A against A, TM-score 1.00
- P84148 · AlphaFold monomer V2.0 prediction for mRNA transport regulator MTR2 (P84148) · a predicted model of the same protein · chain C against A, TM-score 0.93
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 P84148
- Elsewhere: RCSB PDB 1Q40 · PDBe 1Q40 · UniProt P84148
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