9C1C
Mycobacterium tuberculosis PKS13 acyltransferase serine converted to beta-lactam form by CEC215 via SuFEx reaction
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Polyketide synthase Pks13 | polymer | 491 | 53055.8 | 1 | UniProt (I6X8D2) Pfam (PF00698) | Mycobacterium tuberculosis H37Rv | |
| 2 | B, C (B, D) | Polyketide synthase Pks13 | polymer | 491 | 53074.8 | 2 | UniProt (I6X8D2) Pfam (PF00698) | Mycobacterium tuberculosis H37Rv | |
| 3 | D, E, F, G, H... (A, B, D) | SULFATE ION | non-polymer | 96.1 | 24 | Chemie (SO4) | |||
| 4 | AA, BA, OA, PA, QA... (A, B) | CHLORIDE ION | non-polymer | 35.5 | 15 | Chemie (CL) | |||
| 5 | CA (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 6 | DA, GA, WA, YA (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 7 | EA (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 8 | FA, XA (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 9 | UA, VA (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 10 | AB, BB, CB (A, B, D) | water | water | 18.0 | 316 | Chemie (HOH) |
Sequence modifications
A: 576 - 1063 (UniProt: I6X8D2)
B, D: 576 - 1063 (UniProt: I6X8D2)
| PDB | External Database | Details |
|---|---|---|
| Ser 573 | - | expression tag |
| Asn 574 | - | expression tag |
| Ala 575 | - | expression tag |
| A1ato 801 | Ser 801 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Ser 573 | - | expression tag |
| Asn 574 | - | expression tag |
| Ala 575 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 159205.3 | |
| Non-Polymers* | Number of molecules | 49 |
| Total formula weight | 3754.4 | |
| All* | Total formula weight | 162959.7 |
