6HLX

Structure of the PBP AgaA in complex with agropinic acid from A.tumefacien R10

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	AgaA	polymer	492	54459.3	1	UniProt (O50260) Pfam (PF00496) In PDB	Rhizobium radiobacter (Agrobacterium tumefaciens)	Peptide ABC transporter substrate-binding protein,Peptide/nickel transport system substrate-binding protein
2	A	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
3	A	agropinic acid	non-polymer		291.3	1	Chemie (G9Z)
4	A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
5	A	ACETATE ION	non-polymer		59.0	7	Chemie (ACT)
6	A	ZINC ION	non-polymer		65.4	6	Chemie (ZN)
7	A	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
8	A	1,2-ETHANEDIOL	non-polymer		62.1	14	Chemie (EDO)
9	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
10		water	water		18.0	470	Chemie (HOH)

Sequence modifications

A: 25 - 509 (UniProt: O50260)

PDB	External Database	Details
Met 24	-	initiating methionine
His 510	-	expression tag
His 511	-	expression tag
His 512	-	expression tag
His 513	-	expression tag
His 514	-	expression tag
His 515	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	54459.3
Non-Polymers*	Number of molecules	37
	Total formula weight	2927.9
All*	Total formula weight	57387.1

*Water molecules are not included.