5XG3

Crystal structure of the ATPgS-engaged Smc head domain with an extended coiled coil bound to the C-terminal domain of ScpA derived from Bacillus subtilis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Chromosome partition protein Smc	polymer	435	49153.9	2	UniProt (P51834) Pfam (PF02463) In PDB	Bacillus subtilis (strain 168)
2	C, D	Segregation and condensation protein A	polymer	89	10367.9	2	UniProt (A0A1N6WAJ8) Pfam (PF02616) UniProt (by SIFTS) (P35154) In PDB	Bacillus subtilis
3	A, B	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER	non-polymer		523.2	2	Chemie (AGS)
4	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	A	COBALT (II) ION	non-polymer		58.9	1	Chemie (CO)
6		water	water		18.0	3	Chemie (HOH)

Sequence modifications

A, B: 1 - 970 (UniProt: P51834)
A, B: 975 - 1186 (UniProt: P51834)

PDB	External Database	Details
Ser 971	-	linker
Gly 972	-	linker
Gly 973	-	linker
Ser 974	-	linker
Gln 1118	Glu 1118	engineered mutation

C, D: 167 - 251 (UniProt: A0A1N6WAJ8)

PDB	External Database	Details
Val 252	-	expression tag
Asp 253	-	expression tag
Lys 254	-	expression tag
Leu 255	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	119043.5
Non-Polymers*	Number of molecules	5
	Total formula weight	1154.0
All*	Total formula weight	120197.6

*Water molecules are not included.