6P0D

Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, hydroxyl terminated DNA nick

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	645	71669.9	1	UniProt (P18858) Pfam (PF04675) Pfam (PF01068) Pfam (PF04679)	Homo sapiens (Human)	DNA ligase I,Polydeoxyribonucleotide synthase [ATP] 1
2	B (B)	DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3')	polymer	11	3365.2	1		synthetic construct
3	C (C)	DNA (5'-D(P*GP*TP*CP*GP*GP*AP*C)-3')	polymer	7	2138.4	1		synthetic construct
4	D (D)	DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3')	polymer	18	5486.6	1		synthetic construct
5	E (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG) PubChem (8117)
6	F (C)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	1	Chemie (AMP) PubChem (16397049) PubChem (16760266) PubChem (224) PubChem (40467049) PubChem (40469468) PubChem (34768) PubChem (44348067) PubChem (83862) PubChem (45358029) PubChem (46874558) PubChem (40459109) PubChem (57358045) PubChem (57879893) PubChem (57879902) PubChem (46875232) PubChem (446048) PubChem (515384) PubChem (638042) PubChem (177678969) PubChem (6083) PubChem (1549371) PubChem (5316444) PubChem (92144436) PubChem (5742864) PubChem (122197642) PubChem (12358354) PubChem (12163610) PubChem (12358355) PubChem (162290139) PubChem (162946266) PubChem (171699505)
7	G, H, I, J (A, B, C, D)	water	water		18.0	970	Chemie (HOH)

Sequence modifications

A: 262 - 904 (UniProt: P18858)

PDB	External Database	Details
Ser 260	-	expression tag
Asn 261	-	expression tag
Ala 346	Glu 346	engineered mutation
Ala 592	Glu 592	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	82660.1
Non-Polymers*	Number of molecules	2
	Total formula weight	453.3
All*	Total formula weight	83113.5

*Water molecules are not included.