8CG9
Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | DNA cross-link repair 1A protein | polymer | 345 | 39140.3 | 1 | UniProt (Q6PJP8) Pfam (PF07522) | Homo sapiens (human) | Beta-lactamase DCLRE1A,SNM1 homolog A,hSNM1,hSNM1A |
| 2 | B (A) | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
| 3 | C (A) | 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione | non-polymer | 332.3 | 1 | Chemie (XOB) | |||
| 4 | D (A) | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione | non-polymer | 332.3 | 1 | Chemie (R3Z) | |||
| 5 | E (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 6 | F (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | G (A) | water | water | 18.0 | 142 | Chemie (HOH) |
Sequence modifications
A: 696 - 1040 (UniProt: Q6PJP8)
| PDB | External Database | Details |
|---|---|---|
| Met 697 | Arg 697 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 39140.3 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 884.8 | |
| All* | Total formula weight | 40025.2 |
