7U4L

Crystal structure of human GPX4-U46C in complex with MAC-5576

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)	Phospholipid hydroperoxide glutathione peroxidase	polymer	192	21888.1	4	UniProt (P36969) Pfam (PF00255)	Homo sapiens (human)	PHGPx,Glutathione peroxidase 4,GSHPx-4
2	E, F, G, H, I... (A, B, C, D)	thiophene-2-carbaldehyde	non-polymer		112.2	8	Chemie (LW1)
3	M, N, O, P (A, B, C, D)	water	water		18.0	361	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 170 (UniProt: P36969)

PDB	External Database	Details
Met -21	-	initiating methionine
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Val -7	-	expression tag
Pro -6	-	expression tag
Arg -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Leu 0	-	expression tag
Glu 1	-	expression tag
Ala 2	-	expression tag
Cys 46	Sec 73	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	87552.4
Non-Polymers*	Number of molecules	8
	Total formula weight	897.2
All*	Total formula weight	88449.6

*Water molecules are not included.