2X5O
Discovery of Novel 5-Benzylidenerhodanine- and 5-Benzylidene- thiazolidine-2,4-dione Inhibitors of 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 | 439 | 47157.5 | 1 | UniProt (P14900) Pfam (PF21799) Pfam (PF08245) Pfam (PF02875) | Escherichia coli DH5[alpha] | UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE SYNTHETASE, D-GLUTAMIC ACID-ADDING ENZYMEMURD LIGASE |
| 2 | B (A) | N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-D-GLUTAMIC ACID | non-polymer | 483.5 | 1 | Chemie (VSV) | |||
| 3 | C (A) | AZIDE ION | non-polymer | 42.0 | 1 | Chemie (AZI) | |||
| 4 | D, E (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | F (A) | SULFITE ION | non-polymer | 80.1 | 1 | Chemie (SO3) | |||
| 6 | G, H, I, J (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 7 | K (A) | water | water | 18.0 | 535 | Chemie (HOH) |
Sequence modifications
A: 1 - 437 (UniProt: P14900)
| PDB | External Database | Details |
|---|---|---|
| Ser 438 | - | expression tag |
| His 439 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 47157.5 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 939.5 | |
| All* | Total formula weight | 48097.0 |
