6DIK
Crystal structure of Bothropstoxin I (BthTX-I) complexed to Chicoric acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Basic phospholipase A2 homolog bothropstoxin-1 | polymer | 121 | 13752.1 | 2 | UniProt (Q90249) Pfam (PF00068) In PDB | Bothrops jararacussu (Jararacussu) | svPLA2 homolog,BOJU-I,Bothropstoxin I,BtxtxI,Myotoxic phospholipase A2-like,Phospholipase A2 homolog 1 |
| 2 | A | (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid | non-polymer | 474.4 | 1 | Chemie (GKP) | |||
| 3 | A, B | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | B | BICARBONATE ION | non-polymer | 61.0 | 1 | Chemie (BCT) | |||
| 5 | B | ETHANOL | non-polymer | 46.1 | 1 | Chemie (EOH) | |||
| 6 | water | water | 18.0 | 208 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 133 (UniProt: Q90249)
| PDB | External Database | Details |
|---|---|---|
| Asn 67 | Asp 74 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 27504.3 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1061.8 | |
| All* | Total formula weight | 28566.1 |
