5NGR
Crystal structure of human MTH1 in complex with fragment inhibitor 8-(methylsulfanyl)-7H-purin-6-amine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | 7,8-dihydro-8-oxoguanine triphosphatase | polymer | 159 | 18253.7 | 2 | UniProt (P36639) Pfam (PF00293) | Homo sapiens (Human) | 2-hydroxy-dATP diphosphatase,8-oxo-dGTPase,Nucleoside diphosphate-linked moiety X motif 1,Nudix motif 1 |
| 2 | C, H (A, B) | 8-methylsulfanyl-7~{H}-purin-6-amine | non-polymer | 181.2 | 2 | Chemie (8WT) | |||
| 3 | D, E, F, G, I... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 4 | K, L (A, B) | water | water | 18.0 | 79 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 156 (UniProt: P36639)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 36507.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 938.8 | |
| All* | Total formula weight | 37446.3 |
