8D3I

Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with quinolin-4-amine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Apoptosis-inducing factor 1, mitochondrial	polymer	543	59355.4	1	UniProt (O95831) Pfam (PF00070) Pfam (PF14721)	Homo sapiens (human)	Programmed cell death protein 8
2	B (B)	Apoptosis-inducing factor 1, mitochondrial	polymer	543	59371.4	1	UniProt (O95831) Pfam (PF00070) Pfam (PF14721)	Homo sapiens (human)	Programmed cell death protein 8
3	C, H (A, B)	quinolin-4-amine	non-polymer		144.2	2	Chemie (1LM) PubChem (68476)
4	D (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	E, I (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
6	F, G, J (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
7	K, L (A, B)	water	water		18.0	52	Chemie (HOH)

Sequence modifications

A: 78 - 613 (UniProt: O95831)

PDB	External Database	Details
Met 77	-	initiating methionine
Ala 196	Trp 196	engineered mutation
Leu 614	-	expression tag
Glu 615	-	expression tag
Val 616	-	expression tag
Leu 617	-	expression tag
Phe 618	-	expression tag
Gln 619	-	expression tag

B: 78 - 613 (UniProt: O95831)

PDB	External Database	Details
Met 77	-	initiating methionine
Ala 196	Trp 196	engineered mutation
Leu 614	-	expression tag
Glu 615	-	expression tag
Val 616	-	expression tag
Leu 617	-	expression tag
Phe 618	-	expression tag
Gln 619	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	118726.9
Non-Polymers*	Number of molecules	8
	Total formula weight	2209.7
All*	Total formula weight	120936.6

*Water molecules are not included.