4QBI

Crystal structure of a stable adenylate kinase variant AKlse6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Adenylate kinase	polymer	217	24414.1	2	UniProt (P27142) Pfam (PF00406) Pfam (PF05191) In PDB	Geobacillus stearothermophilus	AK, ATP-AMP transphosphorylase, ATP/AMP phosphotransferase, Adenylate monophosphate kinase
2	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B	BIS(ADENOSINE)-5'-PENTAPHOSPHATE	non-polymer		916.4	2	Chemie (AP5)
5		water	water		18.0	537	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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
Ile 107	Leu 107	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
Ile 201	Met 201	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	48828.2
Non-Polymers*	Number of molecules	6
	Total formula weight	2012.2
All*	Total formula weight	50840.4

*Water molecules are not included.