9BN9

Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and two inhibitor A19 molecules

This is a non-PDB format compatible entry.

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	47949.4	1	UniProt (P14900) Pfam (PF21799) Pfam (PF08245) Pfam (PF02875) In PDB	Escherichia coli K-12	D-glutamic acid-adding enzyme,UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase
2	A	URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE	non-polymer		750.5	1	Chemie (UMA)
3	A	N-(4-{[(4S)-3-amino[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}phenyl)acetamide	non-polymer		300.3	2	Chemie (A1AQS)
4	A	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7		water	water		18.0	526	Chemie (HOH)

Sequence modifications

A: 0 - 437 (UniProt: P14900)

PDB	External Database	Details
Gly 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	47949.4
Non-Polymers*	Number of molecules	12
	Total formula weight	2090.6
All*	Total formula weight	50039.9

*Water molecules are not included.