MolNFT v1 · #144373 · protein
The SAM domain of mouse SAMHD1 is critical for its activation and regulation
6BRH · Deoxynucleoside triphosphate triphosphohydrolase SAMHD1: “The SAM domain of mouse SAMHD1 is critical for its activation and regulation”. X-ray diffraction, 2 ligands (DGT, MG), 13 pockets (best druggability 0.80). MolNFT v1 #144373…
- PDB
- 6BRH
- Type
- protein
- Length
- 1,002 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
- UniProt
- F8WJE0
- Ligands
- DGT, MG
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | protein | 500 | 55% helix, 12% strand | F8WJE0 |
| B | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | protein | 502 | 55% helix, 12% strand | F8WJE0 |
Ligands and binding sites
- DGT · 2'-deoxyguanosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 115 | 0.80 | 0.99 | 27 | empty |
| 2 | 964 | 0.75 | 0.78 | 65 | empty |
| 3 | 903 | 0.74 | 0.78 | 71 | empty |
| 4 | 700 | 0.67 | 0.75 | 69 | DGT |
| 5 | 465 | 0.64 | 0.77 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 1896 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 6BRH · The SAM domain of mouse SAMHD1 is critical for its activation and regulation · 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 F8WJE0
- Elsewhere: RCSB PDB 6BRH · PDBe 6BRH · UniProt F8WJE0
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