4QBF

Crystal structure of a stable adenylate kinase variant AKlse2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Adenylate kinase	polymer	217	24070.5	1	UniProt (P16304) Pfam (PF00406) Pfam (PF05191)	Bacillus subtilis	AK, ATP-AMP transphosphorylase, ATP/AMP phosphotransferase, Adenylate monophosphate kinase, Superoxide-inducible protein 16, SOI16
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	C (A)	BIS(ADENOSINE)-5'-PENTAPHOSPHATE	non-polymer		916.4	1	Chemie (AP5)
4	D (A)	water	water		18.0	144	Chemie (HOH)

Sequence modifications

A: 1 - 217 (UniProt: P16304)

PDB	External Database	Details
Ile 3	Leu 3	engineered mutation
Ala 17	Gly 17	engineered mutation
Lys 23	Asp 23	engineered mutation
Arg 69	Lys 69	engineered mutation
Ser 73	Gly 73	engineered mutation
Ser 75	Asp 75	engineered mutation
Leu 99	Ile 99	engineered mutation
Met 103	Tyr 103	engineered mutation
Arg 105	Lys 105	engineered mutation
Gln 114	Glu 114	engineered mutation
Glu 118	Asp 118	engineered mutation
Glu 119	Val 119	engineered mutation
Ile 121	Met 121	engineered mutation
Ala 122	Glu 122	engineered mutation
Thr 169	Ser 169	engineered mutation
Ala 180	Gln 180	engineered mutation
Ala 184	Asp 184	engineered mutation
Asp 187	Ser 187	engineered mutation
Ser 188	Glu 188	engineered mutation
Glu 190	Gly 190	engineered mutation
Val 191	Tyr 191	engineered mutation
Val 193	Ala 193	engineered mutation
Phe 205	Tyr 205	engineered mutation
Val 210	Asp 210	engineered mutation
Ile 211	Leu 211	engineered mutation
Gln 217	Lys 217	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	24070.5
Non-Polymers*	Number of molecules	2
	Total formula weight	981.8
All*	Total formula weight	25052.3

*Water molecules are not included.