9EC2
Crystal structure of SAMHD1 dimer bound to an inhibitor obtained from high-throughput chemical tethering to the guanine antiviral acyclovir
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | polymer | 516 | 59804.4 | 4 | UniProt (Q9Y3Z3) Pfam (PF01966) | Homo sapiens (human) | dNTPase,Dendritic cell-derived IFNG-induced protein,DCIP,Monocyte protein 5,MOP-5,SAM domain and HD domain-containing protein 1,hSAMHD1 |
| 2 | E, G, H, J (A, B, C) | N-[5-({2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl}amino)-5-oxopentyl]-4,7-dibromo-3-hydroxynaphthalene-2-carboxamide | non-polymer | 651.3 | 4 | Chemie (A1BHL) | |||
| 3 | F, I, K, L (A, B, C, D) | FE (III) ION | non-polymer | 55.8 | 4 | Chemie (FE) | |||
| 4 | M, N, O, P (A, B, C, D) | water | water | 18.0 | 74 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 113 - 626 (UniProt: Q9Y3Z3)
| PDB | External Database | Details |
|---|---|---|
| Ser 111 | - | expression tag |
| Met 112 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 239217.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2828.6 | |
| All* | Total formula weight | 242046.1 |
