2Y1O
Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies
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 | D-GLUTAMIC ACID-ADDING ENZYME, UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE SYNTHETASE, MURD LIGASE |
| 2 | A | (2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID | non-polymer | 499.6 | 1 | Chemie (T26) | |||
| 3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
| 4 | A | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | water | water | 18.0 | 415 | 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 | 9 |
| Total formula weight | 1196.3 | |
| All* | Total formula weight | 49175.7 |
