8W0D
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl 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 | D (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 3 | E, K, N (A, B, C) | 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine | non-polymer | 389.3 | 3 | Chemie (YHQ) | |||
| 4 | F, O (A, C) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 5 | G, H, L (A, B) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 6 | I, J, M, P, Q (A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 7 | R, S, T (A, B, C) | water | water | 18.0 | 322 | 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 | 14 |
| Total formula weight | 1771.4 | |
| All* | Total formula weight | 229496.6 |
