7MES

Structure of ALDH4A1 complexed with trans-4-Hydroxy-D-proline

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)	Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial	polymer	563	61954.2	2	UniProt (Q8CHT0) Pfam (PF00171)	Mus musculus (Mouse)	P5C dehydrogenase,Aldehyde dehydrogenase family 4 member A1,L-glutamate gamma-semialdehyde dehydrogenase
2	C, J (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	D, E, K, L (A, B)	(4S)-4-hydroxy-D-proline	non-polymer		131.1	4	Chemie (UY7)
4	F (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
5	G, H, N (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
6	I, O (A, B)	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
7	M (B)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
8	P, Q (A, B)	water	water		18.0	637	Chemie (HOH)

Sequence modifications

A, B: 22 - 563 (UniProt: Q8CHT0)

PDB	External Database	Details
Met 1	-	expression tag
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
Met 21	-	expression tag
Ala 33	Thr 32	conflict
Thr 61	Met 60	conflict
Lys 468	Gln 467	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	123908.4
Non-Polymers*	Number of molecules	13
	Total formula weight	2990.7
All*	Total formula weight	126899.1

*Water molecules are not included.