MolNFT v1 · #83143 · protein
Crystal structure of semet-labeled yeast N-acetyltransferase MPR1 L87M mutant
3W91 · MPR1 protein: “Crystal structure of semet-labeled yeast N-acetyltransferase MPR1 L87M mutant”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #83143 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3W91
- Type
- protein
- Length
- 678 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MPR1 protein
- UniProt
- E9P8D2
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MPR1 protein | protein | 226 | 31% helix, 28% strand | E9P8D2 |
| B | MPR1 protein | protein | 224 | 33% helix, 28% strand | E9P8D2 |
| C | MPR1 protein | protein | 228 | 31% helix, 28% strand | E9P8D2 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1110 | 0.78 | 0.79 | 100 | empty |
| 2 | 398 | 0.68 | 0.80 | 43 | empty |
| 3 | 210 | 0.50 | 0.76 | 26 | empty |
| 4 | 61 | 0.28 | 0.73 | 13 | empty |
Interfaces
2 interfaces between chains.
- B–C · 1316 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 382 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 3W91 · crystal structure of SeMet-labeled yeast N-acetyltransferase Mpr1 L87M mutant · the same entry in another collection · chain A against A, TM-score 1.00
- E9P8D2 · AlphaFold monomer V2.0 prediction for N-acetyltransferase MPR1 (E9P8D2) · a predicted model of the same protein · chain B against A, TM-score 1.00
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 E9P8D2
- Elsewhere: RCSB PDB 3W91 · PDBe 3W91 · UniProt E9P8D2
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