9LDA

The complex structure of K63A/5'-p-ADPR-DNA

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Probable RNA 2'-phosphotransferase	polymer	180	20920.2	1	UniProt (Q5JFX3) Pfam (PF01885)	Thermococcus kodakarensis KOD1
2	B (B)	DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3')	polymer	10	3087.1	1		synthetic construct
3	C (A)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
4	D (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	E (B)	[[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-5~{H}-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate	non-polymer		558.3	1	Chemie (A1EJJ)
6	F, G (A, B)	water	water		18.0	14	Chemie (HOH)

Sequence modifications

A: 1 - 180 (UniProt: Q5JFX3)

PDB	External Database	Details
Ala 63	Lys 63	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	24007.3
Non-Polymers*	Number of molecules	3
	Total formula weight	719.5
All*	Total formula weight	24726.8

*Water molecules are not included.