3DKV

Crystal structure of adenylate kinase variant AKlse1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Adenylate kinase	polymer	217	24146.6	1	UniProt (P16304) Pfam (PF00406) Pfam (PF05191) In PDB	Bacillus subtilis	ATP-AMP transphosphorylase, AK, Superoxide-inducible protein 16, SOI16
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	BIS(ADENOSINE)-5'-PENTAPHOSPHATE	non-polymer		916.4	1	Chemie (AP5)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
6		water	water		18.0	206	Chemie (HOH)

Sequence modifications

A: 1 - 217 (UniProt: P16304)

PDB	External Database	Details
Ile 3	Leu 3	SEE REMARK 999
Ala 17	Gly 17	SEE REMARK 999
Lys 23	Asp 23	SEE REMARK 999
Arg 69	Lys 69	SEE REMARK 999
Ser 73	Gly 73	SEE REMARK 999
Ser 75	Asp 75	SEE REMARK 999
Met 103	Tyr 103	SEE REMARK 999
Arg 105	Lys 105	SEE REMARK 999
Gln 114	Glu 114	SEE REMARK 999
Glu 118	Asp 118	SEE REMARK 999
Glu 119	Val 119	SEE REMARK 999
Thr 169	Ser 169	SEE REMARK 999
Ala 180	Gln 180	SEE REMARK 999
Ala 184	Asp 184	SEE REMARK 999
Asp 187	Ser 187	SEE REMARK 999
Ser 188	Glu 188	SEE REMARK 999
Glu 190	Gly 190	SEE REMARK 999
Val 191	Tyr 191	SEE REMARK 999
Val 193	Ala 193	SEE REMARK 999
Phe 205	Tyr 205	SEE REMARK 999
Val 210	Asp 210	SEE REMARK 999
Ile 211	Leu 211	SEE REMARK 999
Gln 217	Lys 217	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	24146.6
Non-Polymers*	Number of molecules	6
	Total formula weight	1192.3
All*	Total formula weight	25338.9

*Water molecules are not included.