4JAS

Structural basis of a rationally rewired protein-protein interface (HK853mutant A268V, A271G, T275M, V294T and D297E and RR468mutant V13P, L14I, I17M and N21V)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Histidine kinase	polymer	258	29438.4	1	UniProt (Q9WZV7) Pfam (PF00512) Pfam (PF02518) In PDB	Thermotoga maritima	Sensor histidine kinase
2	B	Response regulator	polymer	122	13914.3	1	UniProt (Q9WYT9) Pfam (PF00072) In PDB	Thermotoga maritima	RR468, Response regulator receiver protein
3	A	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
4	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5		water	water		18.0	13	Chemie (HOH)

Sequence modifications

A: 232 - 489 (UniProt: Q9WZV7)

PDB	External Database	Details
Val 268	Ala 268	engineered mutation
Gly 271	Ala 271	engineered mutation
Met 275	Thr 275	engineered mutation
Thr 294	Val 294	engineered mutation
Glu 297	Asp 297	engineered mutation

B: 1 - 122 (UniProt: Q9WYT9)

PDB	External Database	Details
Pro 13	Val 13	engineered mutation
Ile 14	Leu 14	engineered mutation
Met 17	Ile 17	engineered mutation
Val 21	Asn 21	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43352.7
Non-Polymers*	Number of molecules	3
	Total formula weight	475.8
All*	Total formula weight	43828.5

*Water molecules are not included.