3HXY
Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AMPPCP, Ala-AMP and PCP
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Alanyl-tRNA synthetase | polymer | 441 | 49924.1 | 1 | UniProt (P00957) Pfam (PF01411) In PDB | Escherichia coli | Alanine-tRNA ligase, AlaRS |
| 2 | A | 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine | non-polymer | 418.3 | 1 | Chemie (5AL) | |||
| 3 | A | METHYLENEDIPHOSPHONIC ACID | non-polymer | 176.0 | 1 | Chemie (MDN) | |||
| 4 | A | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | non-polymer | 505.2 | 1 | Chemie (ACP) | |||
| 5 | A | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 6 | A | 2-HYDROXYETHYL DISULFIDE | non-polymer | 154.3 | 1 | Chemie (HED) | |||
| 7 | A | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 1 | Chemie (BME) | |||
| 8 | water | water | 18.0 | 395 | Chemie (HOH) |
Sequence modifications
A: 1 - 441 (UniProt: P00957)
| PDB | External Database | Details |
|---|---|---|
| Leu 104 | His 105 | engineered mutation |
| Leu 108 | Gln 109 | engineered mutation |
| Leu 112 | Glu 113 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49924.1 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1429.1 | |
| All* | Total formula weight | 51353.2 |
