8K7Q
Staphylococcus aureus lipase S116A inactive mutant-PSA complex
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) | Lipase 2 | polymer | 408 | 45781.4 | 2 | UniProt (A0A0U1MWF9) | Staphylococcus aureus | |
| 2 | C, CA, DA, EA, FA... (A, B) | FORMIC ACID | non-polymer | 46.0 | 11 | Chemie (FMT) PubChem (284) | |||
| 3 | AA, D, E, Z (B, A) | OCTANOIC ACID (CAPRYLIC ACID) | non-polymer | 144.2 | 4 | Chemie (OCA) PubChem (379) | |||
| 4 | F (A) | PROPANOIC ACID | non-polymer | 74.1 | 1 | Chemie (PPI) PubChem (1032) | |||
| 5 | G (A) | ACETIC ACID | non-polymer | 60.1 | 1 | Chemie (ACY) | |||
| 6 | BA, H (B, A) | Petroselinic acid | non-polymer | 282.5 | 2 | Chemie (4I1) PubChem (11634) PubChem (5282754) PubChem (5281125) | |||
| 7 | GA, I (B, A) | LAURIC ACID | non-polymer | 200.3 | 2 | Chemie (DAO) | |||
| 8 | HA, J, U, X (B, A) | HEXANOIC ACID | non-polymer | 116.2 | 4 | Chemie (6NA) PubChem (8892) | |||
| 9 | IA, JA, O, P (B, A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) PubChem (312) | |||
| 10 | Q (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) PubChem (888) | |||
| 11 | KA, R (B, A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 12 | LA, S (B, A) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) PubChem (271) | |||
| 13 | MA, T (B, A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 14 | Y (B) | butanoic acid | non-polymer | 88.1 | 1 | Chemie (BUA) PubChem (264) | |||
| 15 | NA, OA (A, B) | water | water | 18.0 | 211 | Chemie (HOH) |
Sequence modifications
A, B: -1 - 394 (UniProt: A0A0U1MWF9)
| PDB | External Database | Details |
|---|---|---|
| Met -13 | - | expression tag |
| Asn -12 | - | expression tag |
| His -11 | - | expression tag |
| Lys -10 | - | expression tag |
| Val -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| Met -2 | - | expression tag |
| Gln 68 | Glu 364 | conflict |
| Ala 116 | Ser 412 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 91562.8 | |
| Non-Polymers* | Number of molecules | 37 |
| Total formula weight | 3296.8 | |
| All* | Total formula weight | 94859.6 |
