8VZM

DNA Ligase 1 captured with pre-step 3 ligation at the rA:T nicksite

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA ligase 1	polymer	669	74326.7	1	UniProt (P18858) Pfam (PF04675) Pfam (PF01068) Pfam (PF04679)	Homo sapiens (human)	DNA ligase I,Polydeoxyribonucleotide synthase [ATP] 1
2	B (B)	DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*A)-3')	polymer	11	3405.2	1		synthetic construct
3	C (D)	DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3')	polymer	18	5461.5	1		synthetic construct
4	D (C)	DNA (5'-D(P*GP*TP*CP*GP*GP*AP*C)-3')	polymer	7	2138.4	1		synthetic construct
5	E (C)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	1	Chemie (AMP) PubChem (16397049) PubChem (16760266) PubChem (224) PubChem (34768) PubChem (83862) PubChem (40467049) PubChem (40469468) PubChem (446048) PubChem (44348067) PubChem (45358029) PubChem (40459109) PubChem (515384) PubChem (46874558) PubChem (638042) PubChem (46875232) PubChem (57358045) PubChem (57879893) PubChem (57879902) PubChem (5316444) PubChem (5742864) PubChem (177678969) PubChem (6083) PubChem (1549371) PubChem (12163610) PubChem (12358355) PubChem (92144436) PubChem (122197642) PubChem (12358354) PubChem (162290139) PubChem (162946266) PubChem (171699505)
6	F, G, H, I (A, B, D, C)	water	water		18.0	148	Chemie (HOH)

Sequence modifications

A: 261 - 918 (UniProt: P18858)

PDB	External Database	Details
Ala 346	Glu 346	conflict
Ala 592	Glu 592	conflict
Ala 919	-	expression tag
Ala 920	-	expression tag
Ala 921	-	expression tag
Leu 922	-	expression tag
Glu 923	-	expression tag
His 924	-	expression tag
His 925	-	expression tag
His 926	-	expression tag
His 927	-	expression tag
His 928	-	expression tag
His 929	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	85331.8
Non-Polymers*	Number of molecules	1
	Total formula weight	347.2
All*	Total formula weight	85679.1

*Water molecules are not included.