8EWA

Crystal Structure of UDP-N-acetylmuramate-L-alanine ligase (UDP-N-acetylmuramoyl-L-alanine synthetase, MurC) Pseudomonas aeruginosa in complex with ligand AZ-13644923

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	UDP-N-acetylmuramate--L-alanine ligase	polymer	316	33976.6	2	UniProt (Q9HW02) Pfam (PF01225) Pfam (PF08245) In PDB	Pseudomonas aeruginosa	UDP-N-acetylmuramoyl-L-alanine synthetase
2	A, B	(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate	non-polymer		548.6	2	Chemie (WYI)
3	A, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5		water	water		18.0	477	Chemie (HOH)

Sequence modifications

A, B: 16 - 322 (UniProt: Q9HW02)

PDB	External Database	Details
Met 7	-	initiating methionine
Ala 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
Met 15	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67953.3
Non-Polymers*	Number of molecules	5
	Total formula weight	1324.9
All*	Total formula weight	69278.1

*Water molecules are not included.