MolNFT v1 · #61939 · protein
Crystal structure of fusion protein of msra and msrb
3E0M · Peptide methionine sulfoxide reductase MSRA/MSRB 1: “Crystal structure of fusion protein of msra and msrb”. X-ray diffraction, 15 pockets (best druggability 0.69). MolNFT v1 #61939 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3E0M
- Type
- protein
- Length
- 1,264 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptide methionine sulfoxide reductase MSRA/MSRB 1; Short peptide shmaei
- EC
- 1.8.4.11, 1.8.4.12
- UniProt
- P0A3Q9
- Pockets
- 15 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peptide methionine sulfoxide reductase MSRA/MSRB 1 (EC 1.8.4.11, 1.8.4.12) | protein | 312 | 32% helix, 25% strand | P0A3Q9 |
| C, D | Peptide methionine sulfoxide reductase MSRA/MSRB 1 (EC 1.8.4.11, 1.8.4.12) | protein | 313 | 30% helix, 26% strand | P0A3Q9 |
| E | Short peptide shmaei | protein | 6 | 0% helix, 0% strand | — |
| F, G | Short peptide shmaei | protein | 4 | 0% helix, 0% strand | — |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 760 | 0.69 | 0.76 | 64 | empty |
| 2 | 333 | 0.69 | 0.82 | 51 | empty |
| 3 | 136 | 0.65 | 0.88 | 36 | empty |
| 4 | 322 | 0.61 | 0.78 | 30 | empty |
| 5 | 347 | 0.58 | 0.76 | 43 | empty |
Interfaces
8 interfaces between chains.
- A–B · 855 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 792 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 712 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 674 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 613 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3E0M · Crystal structure of fusion protein of MsrA and MsrB · the same entry in another collection · chain G against G, TM-score 1.00
- P0A3Q9 · AlphaFold monomer V2.0 prediction for peptide methionine sulfoxide reductase MSRA/MSRB 1… · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P0A3Q9
- Elsewhere: RCSB PDB 3E0M · PDBe 3E0M · UniProt P0A3Q9
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