4QBG

Crystal structure of a stable adenylate kinase variant AKlse4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B	Adenylate kinase	polymer	217	24439.1	1	UniProt (P16304) Pfam (PF00406) Pfam (PF05191) In PDB	Bacillus subtilis	AK, ATP-AMP transphosphorylase, ATP/AMP phosphotransferase, Adenylate monophosphate kinase, Superoxide-inducible protein 16, SOI16
2	B	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	B	BIS(ADENOSINE)-5'-PENTAPHOSPHATE	non-polymer		916.4	1	Chemie (AP5)
4	B	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5		water	water		18.0	232	Chemie (HOH)

Sequence modifications

B: 1 - 217 (UniProt: P16304)

PDB	External Database	Details
Ile 3	Leu 3	engineered mutation
Ala 17	Gly 17	engineered mutation
Ala 22	Glu 22	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
Met 103	Tyr 103	engineered mutation
Arg 105	Lys 105	engineered mutation
Lys 106	Pro 106	engineered mutation
Leu 107	Ile 107	engineered mutation
Glu 108	Asp 108	engineered mutation
His 109	Tyr 109	engineered mutation
His 112	Asn 112	engineered mutation
Arg 116	Asp 116	engineered mutation
Gln 117	Lys 117	engineered mutation
Glu 118	Asp 118	engineered mutation
Glu 119	Val 119	engineered mutation
Ala 169	Ser 169	engineered mutation
Met 179	Thr 179	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
Arg 193	Ala 193	engineered mutation
Met 201	Ile 201	engineered mutation
Glu 202	Gln 202	engineered mutation
Lys 203	Asp 203	engineered mutation
Phe 205	Tyr 205	engineered mutation
Lys 206	Ala 206	engineered mutation
Leu 208	Val 208	engineered mutation
Arg 209	Lys 209	engineered mutation
Glu 210	Asp 210	engineered mutation
Gln 213	Gly 213	engineered mutation
Ala 216	Lys 216	engineered mutation
Arg 217	Lys 217	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	24439.1
Non-Polymers*	Number of molecules	3
	Total formula weight	1006.1
All*	Total formula weight	25445.2

*Water molecules are not included.