8RKQ

Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with the molecular tweezer CLR01

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)	Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial	polymer	567	62150.4	4	UniProt (P30038) Pfam (PF00171)	Homo sapiens (human)	P5C dehydrogenase,Aldehyde dehydrogenase family 4 member A1,L-glutamate gamma-semialdehyde dehydrogenase
2	E (A)	(1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene	non-polymer		726.6	1	Chemie (9SZ)
3	F, G, H, I (A, B, C, D)	water	water		18.0	55	Chemie (HOH)

Sequence modifications

A, B, C, D: 18 - 563 (UniProt: P30038)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	248601.5
Non-Polymers*	Number of molecules	1
	Total formula weight	726.6
All*	Total formula weight	249328.1

*Water molecules are not included.