2Y1O: Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies

PDB ID: 2Y1ODownload
MMDB ID: 95997
PDB Deposition Date: 2010/12/9
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.49  Å
Source Organism:
Similar Structures:
Biological Unit for 2Y1O: monomeric; determined by author and by software (PISA)
Molecular Components in 2Y1O
Label Count Molecule
Protein (1 molecule)
1
Udp-n-acetylmuramoylalanine--d-glutamate Ligase
(Gene symbol: murD)
Molecule annotation
Chemicals and Non-standard biopolymers (9 molecules)
1
1
(2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID(2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID
2
4
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
3
4
SULFATE IONSULFATE ION
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303