2Y66
New 5-Benzylidenethiazolidine-4-one Inhibitors of Bacterial MurD Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | polymer | 445 | 47979.4 | 1 | UniProt (P14900) Pfam (PF21799) Pfam (PF08245) Pfam (PF02875) In PDB | ESCHERICHIA COLI | MURD LIGASE, D-GLUTAMIC ACID-ADDING ENZYME, UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE SYNTHETASE |
| 2 | A | (2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid | non-polymer | 484.5 | 1 | Chemie (N04) | |||
| 3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | A | SULFITE ION | non-polymer | 80.1 | 1 | Chemie (SO3) | |||
| 6 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | water | water | 18.0 | 459 | Chemie (HOH) |
Sequence modifications
A: 0 - 437 (UniProt: P14900)
| PDB | External Database | Details |
|---|---|---|
| Ser 438 | - | expression tag |
| His 439 | - | expression tag |
| His 440 | - | expression tag |
| His 441 | - | expression tag |
| His 442 | - | expression tag |
| His 443 | - | expression tag |
| His 444 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 47979.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 774.2 | |
| All* | Total formula weight | 48753.6 |
