9C4O

Cryo-EM structure of PqqU with ligand PQQ

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Pyrroloquinoline quinone transporter	polymer	707	78401.2	1	UniProt (P76115) Pfam (PF07715) Pfam (PF00593)	Escherichia coli BW25113	PQQ transporter,TonB-dependent receptor PqqU
2	B (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
3	C (A)	PYRROLOQUINOLINE QUINONE	non-polymer		330.2	1	Chemie (PQQ)
4	D (A)	water	water		18.0	111	Chemie (HOH)

Sequence modifications

A: 24 - 700 (UniProt: P76115)

PDB	External Database	Details
Met -6	-	initiating methionine
Ser -5	-	expression tag
Asn -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
Glu 7	-	expression tag
Asn 8	-	expression tag
Leu 9	-	expression tag
Tyr 10	-	expression tag
Phe 11	-	expression tag
Gln 12	-	expression tag
Gly 13	-	expression tag
Ala 14	-	expression tag
Met 15	-	expression tag
Asp 16	-	expression tag
Ile 17	-	expression tag
Gly 18	-	expression tag
Ile 19	-	expression tag
Asn 20	-	expression tag
Ser 21	-	expression tag
Asp 22	-	expression tag
Pro 23	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	78401.2
Non-Polymers*	Number of molecules	2
	Total formula weight	370.3
All*	Total formula weight	78771.4

*Water molecules are not included.