4POW

Structure of the PBP NocT in complex with pyronopaline

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Nopaline-binding periplasmic protein	polymer	265	29259.6	2	UniProt (P35120) Pfam (PF00497) In PDB	Agrobacterium tumefaciens
2	A, B	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
3	A, B	1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline	non-polymer		286.3	2	Chemie (OP1)
4		water	water		18.0	442	Chemie (HOH)

Sequence modifications

A, B: 26 - 283 (UniProt: P35120)

PDB	External Database	Details
Met 25	-	initiating methionine
His 284	-	expression tag
His 285	-	expression tag
His 286	-	expression tag
His 287	-	expression tag
His 288	-	expression tag
His 289	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	58519.3
Non-Polymers*	Number of molecules	8
	Total formula weight	945.0
All*	Total formula weight	59464.2

*Water molecules are not included.