8CDO

PBP AccA-F144YG440Q from A. tumefaciens Bo542 in complex with agrocinopine C-like

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Agrocinopine utilization periplasmic binding protein AccA	polymer	498	56380.8	1	UniProt (A0A2P0QK24) Pfam (PF00496) UniProt (by SIFTS) (A5WYD2) In PDB	Agrobacterium tumefaciens
2	B, C	beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_002547) BIRD (PRD_002548)
3	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
4	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
6	A	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
7	A	2-O-phosphono-beta-D-glucopyranose	non-polymer		260.1	1	BIRD (PRD_002548) Chemie (BNX)
8	A	2-O-phosphono-alpha-D-glucopyranose	non-polymer		260.1	1	BIRD (PRD_002547) Chemie (ALX)
9		water	water		18.0	616	Chemie (HOH)

Sequence modifications

A: 31 - 521 (UniProt: A0A2P0QK24)

PDB	External Database	Details
Met 30	-	initiating methionine
Tyr 145	Phe 136	engineered mutation
Gln 440	Gly 431	engineered mutation
His 522	-	expression tag
His 523	-	expression tag
His 524	-	expression tag
His 525	-	expression tag
His 526	-	expression tag
His 527	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	56380.8
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	14
	Total formula weight	1529.4
All*	Total formula weight	58594.8

*Water molecules are not included.