MolNFT v1 · #158663 · protein
Crystal structure of selenomethionine labelled tandem SAM domains (L446M:L505M:L523M mutant) from human SARM1
6O0T · Sterile alpha and tir motif-containing protein 1: “Crystal structure of selenomethionine labelled tandem SAM domains (L446M:L505M:L523M mutant) from human SARM1”. X-ray diffraction, 8 pockets (best druggability 0.70). MolNFT v1…
- PDB
- 6O0T
- Type
- protein
- Length
- 1,118 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sterile alpha and tir motif-containing protein 1
- UniProt
- Q6SZW1
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E, F, G, H | Sterile alpha and tir motif-containing protein 1 | protein | 140 | 69% helix, 0% strand | Q6SZW1 |
| C, D | Sterile alpha and tir motif-containing protein 1 | protein | 139 | 68% helix, 0% strand | Q6SZW1 |
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 360 | 0.70 | 0.82 | 53 | empty |
| 2 | 181 | 0.60 | 0.83 | 38 | empty |
| 3 | 147 | 0.58 | 0.83 | 27 | empty |
| 4 | 160 | 0.58 | 0.82 | 24 | empty |
| 5 | 152 | 0.57 | 0.82 | 24 | empty |
Interfaces
8 interfaces between chains.
- D–E · 891 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 868 Ų buried · 20 hydrogen bonds · protein-protein
- A–H · 860 Ų buried · 16 hydrogen bonds · protein-protein
- F–G · 859 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 853 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 40 modified (engineered).
Compared structures
- 6O0T · Crystal structure of selenomethionine labelled tandem SAM domains (L446M:L505M:L523M… · the same entry in another collection · chain H against H, TM-score 1.00
- Q6SZW1 · AlphaFold monomer V2.0 prediction for NAD(+) hydrolase SARM1 (Q6SZW1) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 Q6SZW1
- Elsewhere: RCSB PDB 6O0T · PDBe 6O0T · UniProt Q6SZW1
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