4A7G
Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | SUPEROXIDE DISMUTASE [CU-ZN] | polymer | 153 | 15803.5 | 1 | UniProt (P00441) Pfam (PF00080) | HOMO SAPIENS (HUMAN) | SUPEROXIDE DISMUTASE-1, SUPEROXIDE DISMUTASE 1, HSOD1 |
| 2 | B (F) | SUPEROXIDE DISMUTASE [CU-ZN] | polymer | 153 | 15815.5 | 1 | UniProt (P00441) Pfam (PF00080) | HOMO SAPIENS (HUMAN) | SUPEROXIDE DISMUTASE-1, SUPEROXIDE DISMUTASE 1, HSOD1 |
| 3 | C, E, J, K, M (A, F) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | D, F, O (A, F) | 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE | non-polymer | 228.3 | 3 | Chemie (12I) | |||
| 5 | G, L (A, F) | COPPER (II) ION | non-polymer | 63.5 | 2 | Chemie (CU) | |||
| 6 | H, N (A, F) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 7 | I (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 8 | P, Q (A, F) | water | water | 18.0 | 388 | Chemie (HOH) |
Sequence modifications
A: 1 - 153 (UniProt: P00441)
F: 1 - 153 (UniProt: P00441)
| PDB | External Database | Details |
|---|---|---|
| Thr 99 | Ile 100 | conflict |
| Thr 113 | Ile 114 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Thr 113 | Ile 114 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 31619.0 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1482.1 | |
| All* | Total formula weight | 33101.1 |
