4QBH

Crystal structure of a stable adenylate kinase variant AKlse5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Adenylate kinase	polymer	217	24440.1	2	UniProt (P27142) Pfam (PF00406) Pfam (PF05191)	Geobacillus stearothermophilus	AK, ATP-AMP transphosphorylase, ATP/AMP phosphotransferase, Adenylate monophosphate kinase
2	C, F (A, B)	BIS(ADENOSINE)-5'-PENTAPHOSPHATE	non-polymer		916.4	2	Chemie (AP5)
3	D, G (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	E, H (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	I, J (A, B)	water	water		18.0	401	Chemie (HOH)

Sequence modifications

A, B: 1 - 217 (UniProt: P27142)

PDB	External Database	Details
Arg 19	Lys 19	engineered mutation
Glu 22	Ala 22	engineered mutation
Gly 73	Ser 73	engineered mutation
Glu 78	Gln 78	engineered mutation
Arg 79	Asn 79	engineered mutation
Glu 98	Thr 98	engineered mutation
Ile 99	Met 99	engineered mutation
Glu 101	Ala 101	engineered mutation
Glu 102	Asp 102	engineered mutation
Pro 106	Lys 106	engineered mutation
Ile 107	Leu 107	engineered mutation
Glu 114	Asp 114	engineered mutation
Glu 166	Ala 166	engineered mutation
Lys 170	Asn 170	engineered mutation
Leu 183	Val 183	engineered mutation
Val 195	Ile 195	engineered mutation
Gln 198	Glu 198	engineered mutation
Gln 202	Glu 202	engineered mutation
Asp 203	Lys 203	engineered mutation
Val 208	Ile 208	engineered mutation
Lys 216	Ala 216	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	48880.2
Non-Polymers*	Number of molecules	6
	Total formula weight	2012.2
All*	Total formula weight	50892.3

*Water molecules are not included.