6U1I
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphorylated D-cycloserine, Mg2+ and K+
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) | D-alanine--D-alanine ligase | polymer | 327 | 35789.0 | 4 | UniProt (Q5SHZ3) Pfam (PF01820) Pfam (PF07478) | Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) | D-Ala-D-Ala ligase,D-alanylalanine synthetase |
| 2 | E, I (A, C) | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 2 | Chemie (ADP) | |||
| 3 | F, G (C) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | H (C) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 5 | J (C) | [(4R)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate | non-polymer | 182.1 | 1 | Chemie (DS0) | |||
| 6 | K, L, M, N (A, B, C, D) | water | water | 18.0 | 365 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 319 (UniProt: Q5SHZ3)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | initiating methionine |
| Glu 0 | - | expression tag |
| His 320 | - | expression tag |
| His 321 | - | expression tag |
| His 322 | - | expression tag |
| His 323 | - | expression tag |
| His 324 | - | expression tag |
| His 325 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 143156.0 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1124.2 | |
| All* | Total formula weight | 144280.1 |
