MolNFT v1 · #158661 · protein
Crystal structure of the tir domain from human SARM1 in complex with glycerol
6O0R · Sterile alpha and tir motif-containing protein 1: “Crystal structure of the tir domain from human SARM1 in complex with glycerol”. X-ray diffraction, 5 pockets (best druggability 0.47). MolNFT v1 #158661 on GenesisL1: 3D structure…
- PDB
- 6O0R
- Type
- protein
- Length
- 280 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sterile alpha and tir motif-containing protein 1
- UniProt
- Q6SZW1
- Pockets
- 5 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sterile alpha and tir motif-containing protein 1 | protein | 140 | 49% helix, 14% strand | Q6SZW1 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.47 | 0.81 | 15 | GOL |
| 2 | 64 | 0.45 | 0.82 | 16 | GOL |
| 3 | 83 | 0.38 | 0.77 | 19 | empty |
| 4 | 65 | 0.36 | 0.77 | 17 | empty |
| 5 | 65 | 0.31 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 739 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6O0R · Crystal structure of the TIR domain from human SARM1 in complex with glycerol · the same entry in another collection · chain A against A, TM-score 1.00
- Q6SZW1 · AlphaFold monomer V2.0 prediction for NAD(+) hydrolase SARM1 (Q6SZW1) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 6O0R · PDBe 6O0R · UniProt Q6SZW1
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