4DZ6

Transition state mimic of nucleoside-diphosphate kinase from borrelia burgdorferi with bound vanadate and adp

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, D, E... (A, B, C, D, E...)	Nucleoside diphosphate kinase	polymer	190	21693.9	6	UniProt (O51419) Pfam (PF00334)	Borrelia burgdorferi (Lyme disease spirochete)	NDK, NDP kinase, Nucleoside-2-P kinase
2	G, L, N (A, C, D)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	3	Chemie (ADP)
3	H, M, O (A, C, D)	oxido(dioxo)vanadium	non-polymer		98.9	3	Chemie (VN4)
4	I, K (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	J, P, Q (B, E, F)	VANADATE ION	non-polymer		114.9	3	Chemie (VO4)
6	R, S, T, U, V... (A, B, C, D, E...)	water	water		18.0	328	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 3 - 169 (UniProt: O51419)

PDB	External Database	Details
Met -20	-	expression tag
Ala -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Gly -11	-	expression tag
Thr -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Ala -7	-	expression tag
Gln -6	-	expression tag
Thr -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Met 1	-	expression tag
Ser 2	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	130163.6
Non-Polymers*	Number of molecules	11
	Total formula weight	2047.4
All*	Total formula weight	132211.0

*Water molecules are not included.