4LRT

Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	4-hydroxy-2-oxovalerate aldolase	polymer	355	37326.9	2	UniProt (D1A3K8) Pfam (PF00682) Pfam (PF07836)	Thermomonospora curvata	HOA, 4-hydroxy-2-keto-pentanoic acid aldolase, 4-hydroxy-2-oxopentanoate aldolase
2	B, D (B, D)	Acetaldehyde dehydrogenase	polymer	323	34127.8	2	UniProt (D1A3K7) Pfam (PF01118) Pfam (PF09290)	Thermomonospora curvata	Acetaldehyde dehydrogenase [acetylating]
3	E, M (A, C)	PYRUVIC ACID	non-polymer		88.1	2	Chemie (PYR)
4	F, I, J, R (A, B, D)	SODIUM ION	non-polymer		23.0	4	Chemie (NA)
5	G, P (A, C)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	H, Q (B, D)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7	K, N, O (B, C)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
8	L, S (B, D)	COENZYME A	non-polymer		767.5	2	Chemie (COA)
9	T, U, V, W (A, B, C, D)	water	water		18.0	1364	Chemie (HOH)

Sequence modifications

B, D: 21 - 323 (UniProt: D1A3K7)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Ser 11	-	expression tag
Ser 12	-	expression tag
Gly 13	-	expression tag
Leu 14	-	expression tag
Val 15	-	expression tag
Pro 16	-	expression tag
Arg 17	-	expression tag
Gly 18	-	expression tag
Ser 19	-	expression tag
His 20	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	142909.4
Non-Polymers*	Number of molecules	15
	Total formula weight	2320.2
All*	Total formula weight	145229.5

*Water molecules are not included.