1S0M

Crystal structure of a Benzo[a]pyrene Diol Epoxide adduct in a ternary complex with a DNA polymerase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (C, E)	5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*T)-3'	polymer	13	4111.7	2
2	B, D (D, F)	5'-D(P*AP*TP*AP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*CP*A)-3'	polymer	16	4762.1	2
3	E, F (A, B)	DNA polymerase IV	polymer	352	40257.9	2	UniProt (Q97W02) Pfam (PF00817) Pfam (PF11798) Pfam (PF11799)	Sulfolobus solfataricus	Pol IV
4	G, I (D, F)	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	non-polymer		304.3	2	Chemie (BAP)
5	H, K, L, M, O... (E, A, B)	CALCIUM ION	non-polymer		40.1	7	Chemie (CA) PubChem (271)
6	J (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
7	N, R (A, B)	2'-DEOXYADENOSINE 5'-TRIPHOSPHATE	non-polymer		491.2	2	Chemie (DTP) PubChem (622) PubChem (15993) PubChem (44119995) PubChem (46936612) PubChem (57233913) PubChem (448808) PubChem (89346292) PubChem (91632917) PubChem (92341128) PubChem (92449119) PubChem (92449120) PubChem (129069956) PubChem (171699368)
8	S, T, U, V, W... (C, D, E, F, A...)	water	water		18.0	337	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	98263.4
Non-Polymers*	Number of molecules	12
	Total formula weight	1895.9
All*	Total formula weight	100159.3

*Water molecules are not included.