6CFO

HUMAN PYRUVATE DEHYDROGENASE E1 COMPONENT COMPLEX WITH COVALENT TDP ADDUCT ACETYL PHOSPHINATE

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)	Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial	polymer	365	40714.5	2	UniProt (P08559) Pfam (PF00676)	Homo sapiens (Human)	PDHE1-A type I
2	B, D (B, D)	Pyruvate dehydrogenase E1 component subunit beta, mitochondrial	polymer	341	37346.8	2	UniProt (P11177) Pfam (PF02779) Pfam (PF02780)	Homo sapiens (Human)	PDHE1-B
3	E, G (A, C)	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium	non-polymer		533.3	2	Chemie (A5X)
4	F, H (A, C)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	I, J, K, L (A, B, C, D)	water	water		18.0	375	Chemie (HOH)

Sequence modifications

A, C: 1 - 361 (UniProt: P08559)

PDB	External Database	Details
Met -3	-	initiating methionine
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

B, D: 1 - 329 (UniProt: P11177)

PDB	External Database	Details
Met -11	-	initiating methionine
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	156122.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1115.3
All*	Total formula weight	157238.0

*Water molecules are not included.