9QFU
Human Tryptase beta-2 (hTPSB2) complexed with covalent inhibitor Compound #1
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Tryptase beta-2 | polymer | 243 | 27265.1 | 4 | UniProt (P20231) Pfam (PF00089) | Homo sapiens (human) | Tryptase-2,Tryptase II |
| 2 | E, JA, O, X (A, D, B, C) | ~{N}-[(1~{S},2~{S})-6-azanyl-1-[5-[[4-[2-(3,4-dichlorophenyl)ethoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]-1-oxidanyl-hexan-2-yl]-4-fluoranyl-benzamide | non-polymer | 601.5 | 4 | Chemie (A1I52) | |||
| 3 | AA, BA, EA, F, G... (C, A, D, B) | SULFATE ION | non-polymer | 96.1 | 16 | Chemie (SO4) | |||
| 4 | J, QA (A, D) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 5 | CA, FA, GA, HA, IA... (C, A, D, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 15 | Chemie (EDO) | |||
| 6 | DA, N, R (C, A, B) | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 7 | S (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | TA, UA, VA, WA (A, B, C, D) | water | water | 18.0 | 524 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 16 - 258 (UniProt: P20231)
| PDB | External Database | Details |
|---|---|---|
| His 36 | Arg 51 | variant |
| Gly 37 | Asp 52 | variant |
| Pro 38 | Arg 53 | variant |
| Lys 117 | Asn 132 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 109060.5 | |
| Non-Polymers* | Number of molecules | 41 |
| Total formula weight | 5355.5 | |
| All* | Total formula weight | 114416.0 |
