26HN

Crystal structure of PaALDH variant

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 (A, B, C, D)	Aldehyde dehydrogenase	polymer	517	55860.8	4	UniProt (A0A069Q1D5)	Pseudomonas aeruginosa C1913C	Aldehyde dehydrogenase family protein
2	E, F, G, H (A, B, C, D)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	4	Chemie (PEG) PubChem (8117)
3	I, J, K, L (A, B, C, D)	water	water		18.0	329	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 489 (UniProt: A0A069Q1D5)

PDB	External Database	Details
Met -27	-	initiating methionine
Gly -26	-	expression tag
Ser -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
Asp -14	-	expression tag
Tyr -13	-	expression tag
Asp -12	-	expression tag
Ile -11	-	expression tag
Pro -10	-	expression tag
Thr -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Gly 161	Leu 161	conflict
Ile 164	Arg 164	conflict
Gly 232	Thr 232	conflict
Leu 257	Glu 257	conflict
His 452	Phe 452	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	223443.1
Non-Polymers*	Number of molecules	4
	Total formula weight	424.5
All*	Total formula weight	223867.6

*Water molecules are not included.