MolNFT v1 · #117939 · protein
Crystal structure of the SMU1-red complex (semet) of caenorhabditis elegans
5EN6 · Smu-1: “Crystal structure of the SMU1-red complex (semet) of caenorhabditis elegans”. X-ray diffraction, 3 pockets (best druggability 0.58). MolNFT v1 #117939 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5EN6
- Type
- protein
- Length
- 393 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Smu-1; Suppressor of mec and unc defects
- UniProt
- G5EEG7, Q9N4U5
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 73% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Smu-1 | protein | 176 | 74% helix, 2% strand | G5EEG7 |
| B | Smu-1 | protein | 169 | 76% helix, 2% strand | G5EEG7 |
| C | Suppressor of mec and unc defects | protein | 30 | 60% helix, 0% strand | Q9N4U5 |
| D | Suppressor of mec and unc defects | protein | 18 | 56% helix, 0% strand | Q9N4U5 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 349 | 0.58 | 0.76 | 45 | empty |
| 2 | 99 | 0.39 | 0.76 | 15 | empty |
| 3 | 67 | 0.30 | 0.74 | 11 | empty |
Interfaces
4 interfaces between chains.
- B–C · 716 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 589 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 497 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 143 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 5EN6 · Crystal structure of the Smu1-RED complex (SeMet) of Caenorhabditis elegans · the same entry in another collection · chain D against D, TM-score 1.00
- G5EEG7 · AlphaFold monomer V2.0 prediction for smu-1 suppressor of mec-8 and unc-52 protein… · a predicted model of the same protein · chain B against A, TM-score 0.91
- Q9N4U5 · AlphaFold monomer V2.0 prediction for smu-2 suppressor of mec-8 and unc-52 protein… · a predicted model of the same protein · chain D against A, TM-score 0.53
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 G5EEG7
- Every structure of UniProt Q9N4U5
- Elsewhere: RCSB PDB 5EN6 · PDBe 5EN6 · UniProt G5EEG7 · UniProt Q9N4U5
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