4RPU
Crystal Structure of Human Presequence Protease in Complex with Inhibitor MitoBloCK-60
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Presequence protease, mitochondrial | polymer | 1014 | 115823.8 | 1 | UniProt (Q5JRX3) Pfam (PF00675) Pfam (PF05193) Pfam (PF08367) Pfam (PF22516) | Homo sapiens (human) | hPreP, Pitrilysin metalloproteinase 1, Metalloprotease 1, hMP1 |
| 2 | B (B) | Presequence protease, mitochondrial | polymer | 1014 | 115793.7 | 1 | UniProt (Q5JRX3) Pfam (PF00675) Pfam (PF05193) Pfam (PF08367) Pfam (PF22516) | Homo sapiens (human) | hPreP, Pitrilysin metalloproteinase 1, Metalloprotease 1, hMP1 |
| 3 | C, T (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | D, E, U, V (A, B) | [4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone | non-polymer | 415.5 | 4 | Chemie (3UE) | |||
| 5 | AA, BA, CA, F, G... (B, A) | GLYCEROL | non-polymer | 92.1 | 18 | Chemie (GOL) | |||
| 6 | DA, EA, FA, GA, HA... (B, A) | ACETATE ION | non-polymer | 59.0 | 8 | Chemie (ACT) | |||
| 7 | IA, JA (B) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 8 | KA, LA (A, B) | water | water | 18.0 | 811 | Chemie (HOH) |
Sequence modifications
A: 33 - 1037 (UniProt: Q5JRX3)
B: 33 - 1037 (UniProt: Q5JRX3)
| PDB | External Database | Details |
|---|---|---|
| Met 24 | - | expression tag |
| His 25 | - | expression tag |
| His 26 | - | expression tag |
| His 27 | - | expression tag |
| His 28 | - | expression tag |
| His 29 | - | expression tag |
| His 30 | - | expression tag |
| Ala 31 | - | expression tag |
| Ala 32 | - | expression tag |
| Gln 107 | Glu 107 | engineered mutation |
| Val 328 | Ile 328 | SEE REMARK 999 |
| Val 397 | Ala 397 | SEE REMARK 999 |
| Arg 1037 | Gln 1037 | SEE REMARK 999 |
| PDB | External Database | Details |
|---|---|---|
| Met 24 | - | expression tag |
| His 25 | - | expression tag |
| His 26 | - | expression tag |
| His 27 | - | expression tag |
| His 28 | - | expression tag |
| His 29 | - | expression tag |
| His 30 | - | expression tag |
| Ala 31 | - | expression tag |
| Ala 32 | - | expression tag |
| Gln 107 | Glu 107 | engineered mutation |
| Val 328 | Ile 328 | SEE REMARK 999 |
| Val 397 | Ala 397 | SEE REMARK 999 |
| Arg 1037 | Gln 1037 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 231617.5 | |
| Non-Polymers* | Number of molecules | 34 |
| Total formula weight | 4003.0 | |
| All* | Total formula weight | 235620.4 |
