3HNH

Crystal Structure of PqqC Active Site Mutant Y175S,R179S in complex with a reaction intermediate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Pyrroloquinoline-quinone synthase	polymer	258	29856.7	1	UniProt (A6T9H1) Pfam (PF03070) In PDB	Klebsiella pneumoniae subsp. pneumoniae	PqqC, Coenzyme PQQ synthesis protein C, Pyrroloquinoline quinone biosynthesis protein C
2	A	(2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid	non-polymer		338.3	1	Chemie (AHQ)
3		water	water		18.0	87	Chemie (HOH)

Sequence modifications

A: 1 - 251 (UniProt: A6T9H1)

PDB	External Database	Details
Ser 175	Tyr 175	engineered mutation
Ser 179	Arg 179	engineered mutation
Leu 252	-	expression tag
Glu 253	-	expression tag
His 254	-	expression tag
His 255	-	expression tag
His 256	-	expression tag
His 257	-	expression tag
His 258	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	29856.7
Non-Polymers*	Number of molecules	1
	Total formula weight	338.3
All*	Total formula weight	30195.0

*Water molecules are not included.