2FS2

Structure of the E. coli PaaI protein from the phyenylacetic acid degradation operon

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Phenylacetic acid degradation protein paaI	polymer	151	16281.5	2	UniProt (P76084) Pfam (PF03061)	Escherichia coli
2	C, D, E (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	F, G (A, B)	water	water		18.0	79	Chemie (HOH)

Sequence modifications

A, B: 2 - 140 (UniProt: P76084)

PDB	External Database	Details
Ser 0	-	cloning artifact
Leu 1	-	cloning artifact
Mse 12	Met 12	modified residue
Mse 29	Met 29	modified residue
Mse 38	Met 38	modified residue
Mse 44	Met 44	modified residue
Glu 141	-	expression tag
Gly 142	-	expression tag
Gly 143	-	expression tag
Ser 144	-	expression tag
His 145	-	expression tag
His 146	-	expression tag
His 147	-	expression tag
His 148	-	expression tag
His 149	-	expression tag
His 150	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	32563.1
Non-Polymers*	Number of molecules	3
	Total formula weight	288.2
All*	Total formula weight	32851.2

*Water molecules are not included.