2Y68
Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | polymer | 445 | 47979.4 | 1 | UniProt (P14900) Pfam (PF21799) Pfam (PF08245) Pfam (PF02875) | Escherichia coli K-12 | MURD LIGASE, D-GLUTAMIC ACID-ADDING ENZYME, UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE SYNTHETASE |
| 2 | B (A) | 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid | non-polymer | 517.5 | 1 | Chemie (T04) | |||
| 3 | C, D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 4 | E, F, G, H (A) | AZIDE ION | non-polymer | 42.0 | 4 | Chemie (AZI) | |||
| 5 | I, J, K, L (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 6 | M, N, O (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 7 | P (A) | water | water | 18.0 | 449 | 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 | 14 |
| Total formula weight | 1332.5 | |
| All* | Total formula weight | 49311.9 |
