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	UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE	polymer	445	47979.4	1	UniProt (P14900) Pfam (PF21799) Pfam (PF08245) Pfam (PF02875) In PDB	Escherichia coli K-12	MURD LIGASE, D-GLUTAMIC ACID-ADDING ENZYME, UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE SYNTHETASE
2	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	A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
4	A	AZIDE ION	non-polymer		42.0	4	Chemie (AZI)
5	A	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
6	A	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
7		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

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

*Water molecules are not included.