3X2S
Crystal structure of pyrene-conjugated adenylate kinase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Adenylate kinase | polymer | 214 | 23640.0 | 2 | UniProt (H0QBG3) UniProt (by SIFTS) (A0A0J9X1X4) | Escherichia coli str. K-12 substr. MDS42 | AK, ATP-AMP transphosphorylase, ATP-AMP phosphotransferase, Adenylate monophosphate kinase |
| 2 | C, D, G, H (A, B) | N-(pyren-1-ylmethyl)acetamide | non-polymer | 273.3 | 4 | Chemie (JPY) PubChem (85770785) | |||
| 3 | E, I (A, B) | BIS(ADENOSINE)-5'-PENTAPHOSPHATE | non-polymer | 916.4 | 2 | Chemie (AP5) PubChem (53393615) PubChem (53477724) PubChem (73896898) PubChem (2388) PubChem (440210) PubChem (6419780) PubChem (154729467) PubChem (172873406) | |||
| 4 | F, J (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) PubChem (888) | |||
| 5 | K, L (A, B) | water | water | 18.0 | 27 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 214 (UniProt: H0QBG3)
| PDB | External Database | Details |
|---|---|---|
| Cys 55 | Ala 55 | engineered mutation |
| Ser 77 | Cys 77 | engineered mutation |
| Cys 169 | Val 169 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 47280.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2974.7 | |
| All* | Total formula weight | 50254.7 |
