MolNFT v1 · #182969 · protein
Crystal structure of the tir domain from human SARM1 in complex with 2AD
7NAH · Sterile alpha and tir motif-containing protein 1: “Crystal structure of the tir domain from human SARM1 in complex with 2AD”. X-ray diffraction, 1 ligand (1OF), 2 pockets (best druggability 0.42). MolNFT v1 #182969 on GenesisL1: 3D…
- PDB
- 7NAH
- 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
- 1OF
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sterile alpha and tir motif-containing protein 1 | protein | 140 | 46% helix, 14% strand | Q6SZW1 |
Ligands and binding sites
- 1OF · [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{H}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.42 | 0.79 | 15 | 1OF |
| 2 | 79 | 0.39 | 0.77 | 16 | 1OF |
Interfaces
1 interface between chains.
- A–B · 821 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 7NAH · Crystal structure of the TIR domain from human SARM1 in complex with 2AD · 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 7NAH · PDBe 7NAH · UniProt Q6SZW1
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