3E9Q

Crystal Structure of the Short Chain Dehydrogenase from Shigella flexneri

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Short-chain dehydrogenase	polymer	273	30997.3	2	UniProt (Q83RM3) Pfam (PF00106) UniProt (by SIFTS) (A0A0H2UYY2)	Shigella flexneri 2a
2	C, D, G, H (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
3	E, F (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	I (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	J (B)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6	K, L (A, B)	water	water		18.0	423	Chemie (HOH)

Sequence modifications

A, B: 1 - 252 (UniProt: Q83RM3)

PDB	External Database	Details
Mse -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Arg -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61994.6
Non-Polymers*	Number of molecules	8
	Total formula weight	665.9
All*	Total formula weight	62660.5

*Water molecules are not included.