3I44

Crystal structure of aldehyde dehydrogenase from bartonella henselae at 2.0A resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Aldehyde dehydrogenase	polymer	497	54419.6	1	UniProt (Q6G4G1) Pfam (PF00171) UniProt (by SIFTS) (A0A0H3M4W2)	Bartonella henselae (Rochalimaea henselae)
2	B (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
3	C, D (A)	UNKNOWN ATOM OR ION	non-polymer			2	Chemie (UNX)
4	E (A)	water	water		18.0	276	Chemie (HOH)

Sequence modifications

A: 1 - 476 (UniProt: Q6G4G1)

PDB	External Database	Details
Met -20	-	expression tag
Ala -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Gly -11	-	expression tag
Thr -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Ala -7	-	expression tag
Gln -6	-	expression tag
Thr -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Glu 221	Gly 221	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	54419.6
Non-Polymers*	Number of molecules	3
	Total formula weight	23.0
All*	Total formula weight	54442.6

*Water molecules are not included.