3KHG

Dpo4 extension ternary complex with misinserted A opposite the 2-aminofluorene-guanine [AF]G lesion

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)	DNA polymerase IV	polymer	341	38945.4	2	UniProt (Q97W02) Pfam (PF00817) Pfam (PF11798) Pfam (PF11799)	Sulfolobus solfataricus P2	Pol IV
2	C, E (D, H)	5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(2DA))-3'	polymer	13	4070.7	2
3	D, F (E, J)	5'-D(*C*CP*TP*AP*AP*CP*GP*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3'	polymer	19	5678.7	2
4	G, L (A, B)	2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (DGT) PubChem (177678918) PubChem (136110594) PubChem (135398599) PubChem (135402022) PubChem (135566345) PubChem (136254580) PubChem (136633653) PubChem (136828797) PubChem (136828798) PubChem (137226754) PubChem (137257907) PubChem (171699498)
5	H, I, J, M, N... (A, B)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA) PubChem (271)
6	K (A)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE) PubChem (23831)
7	P, Q (E, J)	2-AMINOFLUORENE	non-polymer		181.2	2	Chemie (AF) PubChem (1539)
8	R, S, T, U, V (A, B, D, E, J)	water	water		18.0	50	Chemie (HOH)

Sequence modifications

A, B: 2 - 341 (UniProt: Q97W02)

PDB	External Database	Details
Gly 1	-	expression tag

D, H: 802 - 814 (PDB: 3KHG)

PDB	External Database	Details
2da 814	A 13	engineered mutation

E, J: 901 - 919 (PDB: 3KHG)

PDB	External Database	Details
Dg 906	C 6	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	97389.5
Non-Polymers*	Number of molecules	11
	Total formula weight	1855.6
All*	Total formula weight	99245.1

*Water molecules are not included.