5OE3

Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 1)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Anthranilate--CoA ligase	polymer	407	44395.2	4	UniProt (Q9I4X3) Pfam (PF00501) In PDB	Pseudomonas aeruginosa PAO1
2	A, B, C, D	5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine	non-polymer		466.3	4	Chemie (3UK)
3	A, C, D	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	9	Chemie (PEG)
4	D, A, B	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
5	B	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
6	D	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
7		water	water		18.0	2400	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 399 (UniProt: Q9I4X3)

PDB	External Database	Details
Leu 400	-	expression tag
Glu 401	-	expression tag
His 402	-	expression tag
His 403	-	expression tag
His 404	-	expression tag
His 405	-	expression tag
His 406	-	expression tag
His 407	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	177580.8
Non-Polymers*	Number of molecules	27
	Total formula weight	3774.5
All*	Total formula weight	181355.3

*Water molecules are not included.