4QIF

Crystal Structure of PduA with edge mutation K26A and pore mutation S40H

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Propanediol utilization protein PduA	polymer	102	10584.2	9	UniProt (P0A1C7) Pfam (PF00936)	Salmonella enterica subsp. enterica serovar Typhimurium
2	J, KA, T (A, I, C)	S-1,2-PROPANEDIOL	non-polymer		76.1	3	Chemie (PGO)
3	AA, BA, GA, IA, JA... (E, F, G, H, A...)	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
4	O (B)	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
5	CA, DA, FA, HA, P... (F, G, H, B, D...)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
6	EA, U, V (G, D)	D(-)-TARTARIC ACID	non-polymer		150.1	3	Chemie (TAR)
7	LA, MA, NA, OA, PA... (A, B, C, D, E...)	water	water		18.0	300	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I: 2 - 94 (UniProt: P0A1C7)

PDB	External Database	Details
Met -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag
Thr 1	-	expression tag
Ala 26	Lys 26	engineered mutation
His 40	Ser 40	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	95257.4
Non-Polymers*	Number of molecules	28
	Total formula weight	2703.2
All*	Total formula weight	97960.7

*Water molecules are not included.