MolNFT v1 · #182971 · protein
Crystal structure of the tir domain from human SARM1 in complex with ara-2'F-adpr
7NAJ · Sterile alpha and tir motif-containing protein 1: “Crystal structure of the tir domain from human SARM1 in complex with ara-2'F-adpr”. X-ray diffraction, 1 ligand (1LK), 5 pockets (best druggability 0.41). MolNFT v1 #182971 on…
- PDB
- 7NAJ
- 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
- Ligands
- 1LK
- Pockets
- 5 · best druggability 0.41
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
- 1LK · 1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol · ligand · 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 | 86 | 0.41 | 0.78 | 19 | 1LK |
| 2 | 74 | 0.39 | 0.78 | 17 | 1LK |
| 3 | 89 | 0.38 | 0.77 | 19 | empty |
| 4 | 68 | 0.35 | 0.77 | 17 | empty |
| 5 | 89 | 0.33 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 729 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 7NAJ · Crystal structure of the TIR domain from human SARM1 in complex with ara-2'F-ADPR · the same entry in another collection · chain A 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 Q6SZW1
- Elsewhere: RCSB PDB 7NAJ · PDBe 7NAJ · UniProt Q6SZW1
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