8EGN

Crystal Structure of UDP-N-acetylmuramate-L-alanine ligase (UDP-N-acetylmuramoyl-L-alanine synthetase, MurC) Pseudomonas aeruginosa in complex with ligand AZ-13643701

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 (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)	UDP-N-acetylmuramoyl-L-alanine synthetase
2	A, B	(1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol	non-polymer		418.5	2	Chemie (WIR)
3	A, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4		water	water		18.0	281	Chemie (HOH)

Sequence modifications

A, B: 9 - 315 (UniProt: Q9HW02)

PDB	External Database	Details
Met 0	-	initiating methionine
Ala 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
Met 8	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67953.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1029.1
All*	Total formula weight	68982.4

*Water molecules are not included.