4K1E
Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Kallikrein-4 | polymer | 223 | 23926.0 | 1 | UniProt (Q9Y5K2) Pfam (PF00089) | Homo sapiens (human) | Enamel matrix serine proteinase 1, Kallikrein-like protein 1, KLK-L1, Prostase, Serine protease 17 |
| 2 | B (B) | Trypsin inhibitor 1 | polymer | 14 | 1580.8 | 1 | UniProt (Q4GWU5) BIRD (PRD_000973) | Helianthus annuus | SFTI-1 |
| 3 | C (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 4 | D (A) | LITHIUM ION | non-polymer | 6.9 | 1 | Chemie (LI) | |||
| 5 | E, F (A, B) | water | water | 18.0 | 115 | Chemie (HOH) |
Sequence modifications
A: 16 - 244 (UniProt: Q9Y5K2)
B: 1 - 14 (UniProt: Q4GWU5)
| PDB | External Database | Details |
|---|---|---|
| Gln 186 | His 197 | SEE REMARK 999 |
| PDB | External Database | Details |
|---|---|---|
| Phe 2 | Arg 41 | engineered mutation |
| Gln 4 | Thr 43 | engineered mutation |
| Arg 5 | Lys 44 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 25506.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 125.1 | |
| All* | Total formula weight | 25632.0 |
