5KLK

Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ and 2-hydroxymuconate-6-semialdehyde

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, D, C)	2-aminomuconate 6-semialdehyde dehydrogenase	polymer	520	56148.0	4	UniProt (Q83V33) Pfam (PF00171)	Pseudomonas fluorescens
2	E, H, K, L (A, B, D, C)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	F, I, M (A, B, C)	(2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid	non-polymer		142.1	3	Chemie (6OH)
4	G, J, N (A, B, C)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
5	O, P, Q, R (A, B, D, C)	water	water		18.0	1092	Chemie (HOH)

Sequence modifications

A, B, D, C: 1 - 500 (UniProt: Q83V33)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Asp 169	Asn 169	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	224592.1
Non-Polymers*	Number of molecules	10
	Total formula weight	3149.0
All*	Total formula weight	227741.1

*Water molecules are not included.