9ZWS

Crystal structure of the N4BP2 polynucleotide kinase domain complexed with ATP or ADP, Mg, and the trinucleotide substrate ACA or its 5'-phosphorylated product pACA.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	NEDD4-binding protein 2	polymer	182	21288.3	3	UniProt (Q86UW6) Pfam (PF13671)	Homo sapiens (human)	N4BP2,BCL-3-binding protein
2	D, E, F (D, E, F)	5'-OH RNA (5'-r(ApCpA)-3') or 5'-phosphorylated RNA (5'-r(pApCpA)-3')	polymer	3	918.6	3		synthetic construct
3	G, J, M (A, B, C)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG) PubChem (888)
4	H, K (A, B)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
5	I, L, O (A, B, C)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
6	N (C)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
7	P, Q, R, S, T... (A, B, C, D, E...)	water	water		18.0	285	Chemie (HOH)

Sequence modifications

A, B, C: 428 - 595 (UniProt: Q86UW6)

PDB	External Database	Details
Gly 414	-	expression tag
Ser 415	-	expression tag
His 416	-	expression tag
Met 417	-	expression tag
Ala 418	-	expression tag
Thr 419	-	expression tag
Asp 420	-	expression tag
Tyr 421	-	expression tag
Lys 422	-	expression tag
Asp 423	-	expression tag
Asp 424	-	expression tag
Asp 425	-	expression tag
Asp 426	-	expression tag
Lys 427	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	66620.9
Non-Polymers*	Number of molecules	9
	Total formula weight	1802.7
All*	Total formula weight	68423.6

*Water molecules are not included.