6XLP

Structure of the essential inner membrane lipopolysaccharide-PbgA complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	LPS binding protein	polymer	596	68491.9	1	UniProt (C3T3G2) Pfam (PF11893) Pfam (PF00884) UniProt (by SIFTS) (P0AD27) In PDB	Escherichia coli	DUF3413 domain-containing protein,Hydrolase of alkaline phosphatase superfamily,Hydrolase,inner membrane,Inner membrane protein YejM,Membrane protein,Putative hydrolase,Putative sulfatase,Sulfatase
2	B	2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose-(6-1)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)]1,5-anhydro-2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-D-glucitol	branched		1445.6	1	In PDB GlyTouCan (G54575HS)
3	A	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
4	A	(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	8	Chemie (OLB)
5	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	3	Chemie (PG4)
6	A	1,2-Distearoyl-sn-glycerophosphoethanolamine	non-polymer		748.1	1	Chemie (3PE)
7		water	water		18.0	146	Chemie (HOH)

Sequence modifications

A: 1 - 586 (UniProt: C3T3G2)

PDB	External Database	Details
Met -2	-	initiating methionine
Gly -1	-	expression tag
Ser 0	-	expression tag
Gly 587	-	expression tag
Glu 588	-	expression tag
Asn 589	-	expression tag
Leu 590	-	expression tag
Tyr 591	-	expression tag
Phe 592	-	expression tag
Gln 593	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	68491.9
Branched	Number of molecules	1
	Total formula weight	1445.6
Non-Polymers*	Number of molecules	20
	Total formula weight	4951.6
All*	Total formula weight	74889.1

*Water molecules are not included.