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 | Lipase 2 | polymer | 408 | 45781.4 | 2 | UniProt (A0A0U1MWF9) In PDB | Staphylococcus aureus | |
2 | A, B | FORMIC ACID | non-polymer | 46.0 | 11 | Chemie (FMT) | |||
3 | B, A | OCTANOIC ACID (CAPRYLIC ACID) | non-polymer | 144.2 | 4 | Chemie (OCA) | |||
4 | A | PROPANOIC ACID | non-polymer | 74.1 | 1 | Chemie (PPI) | |||
5 | A | ACETIC ACID | non-polymer | 60.1 | 1 | Chemie (ACY) | |||
6 | B, A | Petroselinic acid | non-polymer | 282.5 | 2 | Chemie (4I1) | |||
7 | B, A | LAURIC ACID | non-polymer | 200.3 | 2 | Chemie (DAO) | |||
8 | B, A | HEXANOIC ACID | non-polymer | 116.2 | 4 | Chemie (6NA) | |||
9 | B, A | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
10 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
11 | B, A | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
12 | B, A | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
13 | B, A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
14 | B | butanoic acid | non-polymer | 88.1 | 1 | Chemie (BUA) | |||
15 | 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 |