5J3Z
Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Tyrosyl-DNA phosphodiesterase 2 | polymer | 256 | 28776.2 | 2 | UniProt (Q9JJX7) Pfam (PF03372) In PDB | Mus musculus (House Mouse) | Tyr-DNA phosphodiesterase 2,5'-tyrosyl-DNA phosphodiesterase,5'-Tyr-DNA phosphodiesterase,TRAF and TNF receptor-associated protein |
| 2 | A, B | 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile | non-polymer | 382.3 | 2 | Chemie (6FQ) | |||
| 3 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | A, B | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 5 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 15 | Chemie (EDO) | |||
| 6 | B, A | ACETATE ION | non-polymer | 59.0 | 6 | Chemie (ACT) | |||
| 7 | water | water | 18.0 | 604 | Chemie (HOH) |
Sequence modifications
A, B: 118 - 370 (UniProt: Q9JJX7)
| PDB | External Database | Details |
|---|---|---|
| Ser 115 | - | expression tag |
| Asn 116 | - | expression tag |
| Ala 117 | - | expression tag |
| Gly 242 | Glu 242 | engineered mutation |
| Arg 278 | Gln 278 | engineered mutation |
| Cys 321 | Tyr 321 | engineered mutation |
| Leu 323 | His 323 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 57552.3 | |
| Non-Polymers* | Number of molecules | 29 |
| Total formula weight | 2466.9 | |
| All* | Total formula weight | 60019.3 |
