8W0J
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor
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 (A, B, C) | Acetyl-coenzyme A synthetase 2 | polymer | 686 | 75908.4 | 3 | UniProt (Q8NJN3) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193) | Candida albicans | |
| 2 | AA, D, Q (C, A, B) | 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine | non-polymer | 385.3 | 3 | Chemie (YHT) | |||
| 3 | BA, CA, E, F, G... (C, A, B) | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 4 | I, J, T (A, B) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 3 | Chemie (PGE) | |||
| 5 | DA, EA, FA, K, L... (C, A, B) | SULFATE ION | non-polymer | 96.1 | 13 | Chemie (SO4) | |||
| 6 | U, V (B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 7 | GA, HA, IA (A, B, C) | water | water | 18.0 | 177 | Chemie (HOH) |
Sequence modifications
A, B, C: 17 - 686 (UniProt: Q8NJN3)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| His 2 | - | expression tag |
| His 3 | - | expression tag |
| His 4 | - | expression tag |
| His 5 | - | expression tag |
| His 6 | - | expression tag |
| His 7 | - | expression tag |
| His 8 | - | expression tag |
| His 9 | - | expression tag |
| Glu 10 | - | expression tag |
| Asn 11 | - | expression tag |
| Leu 12 | - | expression tag |
| Tyr 13 | - | expression tag |
| Phe 14 | - | expression tag |
| Gln 15 | - | expression tag |
| Gly 16 | - | expression tag |
| Ala 403 | Val 388 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 227725.2 | |
| Non-Polymers* | Number of molecules | 29 |
| Total formula weight | 3662.8 | |
| All* | Total formula weight | 231388.0 |
