3S1A

Crystal structure of the phosphorylation-site double mutant S431E/T432E of the KaiC circadian clock protein

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, F (A, F)	Circadian clock protein kinase kaiC	polymer	525	59051.7	2	UniProt (Q79PF4) Pfam (PF06745)	Synechococcus elongatus
2	B, C, D, E (B, C, D, E)	Circadian clock protein kinase kaiC	polymer	525	58971.7	4	UniProt (Q79PF4) Pfam (PF06745)	Synechococcus elongatus
3	EA, FA, G, H, IA... (E, A, F, B, C...)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	12	Chemie (ATP)
4	AA, BA, CA, DA, GA... (D, E, A, F, B...)	MAGNESIUM ION	non-polymer		24.3	21	Chemie (MG)
5	NA, OA, PA, QA, RA... (A, B, C, D, E...)	water	water		18.0	81	Chemie (HOH)

Sequence modifications

A, F: 1 - 519 (UniProt: Q79PF4)

PDB	External Database	Details
Glu 431	Ser 431	engineered mutation
Glu 432	Thr 432	engineered mutation
His 520	-	expression tag
His 521	-	expression tag
His 522	-	expression tag
His 523	-	expression tag
His 524	-	expression tag
His 525	-	expression tag

B, C, D, E: 1 - 519 (UniProt: Q79PF4)

PDB	External Database	Details
Glu 431	Ser 431	engineered mutation
Glu 432	Thr 432	engineered mutation
His 520	-	expression tag
His 521	-	expression tag
His 522	-	expression tag
His 523	-	expression tag
His 524	-	expression tag
His 525	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	353990.2
Non-Polymers*	Number of molecules	33
	Total formula weight	6596.6
All*	Total formula weight	360586.8

*Water molecules are not included.