3RU4
Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (T) | Cationic trypsin | polymer | 223 | 23324.3 | 1 | UniProt (P00760) Pfam (PF00089) | Bos taurus (bovine cow domestic cattle domestic cow) | Beta-trypsin, Alpha-trypsin chain 1, Alpha-trypsin chain 2 |
| 2 | B (B) | Bowman-Birk type seed trypsin and chymotrypsin inhibitor | polymer | 61 | 6689.8 | 1 | UniProt (P17734) | Vigna unguiculata (Cowpea) | BTCI |
| 3 | C (C) | Chymotrypsinogen A | polymer | 11 | 1083.3 | 1 | UniProt (P00766) | Bos taurus (bovine cow domestic cattle domestic cow) | Chymotrypsin A chain A |
| 4 | D (D) | Chymotrypsinogen A | polymer | 131 | 13934.6 | 1 | UniProt (P00766) Pfam (PF00089) | Bos taurus (bovine cow domestic cattle domestic cow) | Chymotrypsin A chain B |
| 5 | E (E) | Chymotrypsinogen A | polymer | 96 | 10003.4 | 1 | UniProt (P00766) Pfam (PF00089) | Bos taurus (bovine cow domestic cattle domestic cow) | Chymotrypsin A chain C |
| 6 | F (T) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 7 | G, H, I, J, K... (T, B) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 8 | AA, L, M, N, T... (E, T, B, D) | SULFATE ION | non-polymer | 96.1 | 9 | Chemie (SO4) | |||
| 9 | BA, CA, O, P, Q... (E, T, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 10 | R, Y (T, D) | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 2 | Chemie (MRD) | |||
| 11 | DA, EA, FA, GA, HA (T, B, C, D, E) | water | water | 18.0 | 694 | Chemie (HOH) |
Sequence modifications
B: 14 - 74 (UniProt: P17734)
| PDB | External Database | Details |
|---|---|---|
| Asp 20 | Arg 20 | conflict |
| Arg 21 | Glu 21 | conflict |
| Glu 23 | Ala 23 | conflict |
| Asp 36 | Glu 36 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 55035.4 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 2066.0 | |
| All* | Total formula weight | 57101.3 |
