5O1N

Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Alpha-aminoadipic semialdehyde synthase, mitochondrial	polymer	497	54608.8	1	UniProt (Q9UDR5) Pfam (PF03435) Pfam (PF16653)	Homo sapiens (Human)	LKR/SDH
2	B (A)	1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide	non-polymer		232.2	1	Chemie (9H8)
3	C (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4	D (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	E (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	F (A)	water	water		18.0	25	Chemie (HOH)

Sequence modifications

A: 455 - 926 (UniProt: Q9UDR5)

PDB	External Database	Details
Met 430	-	initiating methionine
Gly 431	-	expression tag
His 432	-	expression tag
His 433	-	expression tag
His 434	-	expression tag
His 435	-	expression tag
His 436	-	expression tag
His 437	-	expression tag
Ser 438	-	expression tag
Ser 439	-	expression tag
Gly 440	-	expression tag
Val 441	-	expression tag
Asp 442	-	expression tag
Leu 443	-	expression tag
Gly 444	-	expression tag
Thr 445	-	expression tag
Glu 446	-	expression tag
Asn 447	-	expression tag
Leu 448	-	expression tag
Tyr 449	-	expression tag
Phe 450	-	expression tag
Gln 451	-	expression tag
Ser 452	-	expression tag
Met 453	-	expression tag
Ala 454	-	expression tag
Ser 615	Thr 615	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	54608.8
Non-Polymers*	Number of molecules	4
	Total formula weight	478.5
All*	Total formula weight	55087.4

*Water molecules are not included.