7QZ2

Crystal structure of GacS D1 domain in complex with BeF3-

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)	Histidine kinase	polymer	156	17285.6	2	UniProt (A0A0A8RMX6) Pfam (PF00072) UniProt (by SIFTS) (G3XD98)	Pseudomonas aeruginosa
2	C, D, E (A)	CADMIUM ION	non-polymer		112.4	3	Chemie (CD)
3	F, H (A, B)	BERYLLIUM TRIFLUORIDE ION	non-polymer		66.0	2	Chemie (BEF)
4	G, I (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	J, K (A, B)	water	water		18.0	201	Chemie (HOH)

Sequence modifications

A, B: 662 - 793 (UniProt: A0A0A8RMX6)

PDB	External Database	Details
Met 638	-	initiating methionine
Gly 639	-	expression tag
His 640	-	expression tag
His 641	-	expression tag
His 642	-	expression tag
His 643	-	expression tag
His 644	-	expression tag
His 645	-	expression tag
Ser 646	-	expression tag
Ser 647	-	expression tag
Gly 648	-	expression tag
Val 649	-	expression tag
Asp 650	-	expression tag
Leu 651	-	expression tag
Gly 652	-	expression tag
Thr 653	-	expression tag
Glu 654	-	expression tag
Asn 655	-	expression tag
Leu 656	-	expression tag
Tyr 657	-	expression tag
Phe 658	-	expression tag
Gln 659	-	expression tag
Ser 660	-	expression tag
Met 661	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	34571.2
Non-Polymers*	Number of molecules	7
	Total formula weight	517.9
All*	Total formula weight	35089.1

*Water molecules are not included.