9ZD1

Cryo-EM structure of ATR-ATRIP-TOPBP1 AAD

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Serine/threonine-protein kinase ATR	polymer	2663	304008.3	2	UniProt (Q13535)	Homo sapiens (human)	Ataxia telangiectasia and Rad3-related protein,FRAP-related protein 1
2	C, D (C, D)	ATR-interacting protein	polymer	810	88192.0	2	UniProt (Q8WXE1)	Homo sapiens (human)	ATM and Rad3-related-interacting protein
3	E, F (I, J)	DNA topoisomerase 2-binding protein 1	polymer	219	24285.6	2	UniProt (Q92547)	Homo sapiens (human)	DNA topoisomerase II-beta-binding protein 1,TopBP1,DNA topoisomerase II-binding protein 1
4	G, K, O, P (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN) PubChem (32051)
5	H, J, L, N (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG) PubChem (888)
6	I, M (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)

Sequence modifications

A, B: 1 - 2644 (UniProt: Q13535)

PDB	External Database	Details
Met -18	-	initiating methionine
Asp -17	-	expression tag
Tyr -16	-	expression tag
Lys -15	-	expression tag
Asp -14	-	expression tag
Asp -13	-	expression tag
Asp -12	-	expression tag
Asp -11	-	expression tag
Lys -10	-	expression tag
Glu -9	-	expression tag
Asn -8	-	expression tag
Leu -7	-	expression tag
Tyr -6	-	expression tag
Phe -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Gly -2	-	expression tag
Gly -1	-	expression tag
Arg 0	-	expression tag

C, D: 1 - 791 (UniProt: Q8WXE1)

PDB	External Database	Details
Met -18	-	initiating methionine
Asp -17	-	expression tag
Tyr -16	-	expression tag
Lys -15	-	expression tag
Asp -14	-	expression tag
Asp -13	-	expression tag
Asp -12	-	expression tag
Asp -11	-	expression tag
Lys -10	-	expression tag
Glu -9	-	expression tag
Asn -8	-	expression tag
Leu -7	-	expression tag
Tyr -6	-	expression tag
Phe -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Gly -2	-	expression tag
Gly -1	-	expression tag
Arg 0	-	expression tag

I, J: 978 - 1192 (UniProt: Q92547)

PDB	External Database	Details
Gly 974	-	expression tag
Ser 975	-	expression tag
Gly 976	-	expression tag
Arg 977	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	832971.9
Non-Polymers*	Number of molecules	10
	Total formula weight	1371.2
All*	Total formula weight	834343.1

*Water molecules are not included.