8ROK

Human cohesin SMC3-HD(EQ)/RAD21-N complex - ATP-Mg-bound conformation - Form 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Structural maintenance of chromosomes protein 3	polymer	462	52391.4	2	UniProt (Q9UQE7) Pfam (PF02463)	Homo sapiens (human)	SMC protein 3,SMC-3,Basement membrane-associated chondroitin proteoglycan,Bamacan,Chondroitin sulfate proteoglycan 6,Chromosome-associated polypeptide,hCAP
2	B, D (B, D)	Double-strand-break repair protein rad21 homolog	polymer	110	12617.9	2	UniProt (O60216) Pfam (PF04825)	Homo sapiens (human)	hHR21,Nuclear matrix protein 1,NXP-1,SCC1 homolog
3	E, H (A, C)	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER	non-polymer		523.2	2	Chemie (AGS)
4	F, G (A, C)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	I, J, K (A, C, D)	water	water		18.0	90	Chemie (HOH)

Sequence modifications

A, C: 1 - 966 (UniProt: Q9UQE7)
A, C: 979 - 1217 (UniProt: Q9UQE7)

PDB	External Database	Details
Gly 967	-	linker
Ser 968	-	linker
Gly 969	-	linker
Ser 970	-	linker
Leu 971	-	linker
Val 972	-	linker
Pro 973	-	linker
Arg 974	-	linker
Gly 975	-	linker
Ser 976	-	linker
Gly 977	-	linker
Ser 978	-	linker
Gln 1144	Glu 1144	engineered mutation

B, D: 1 - 102 (UniProt: O60216)

PDB	External Database	Details
Gly 103	-	expression tag
Ser 104	-	expression tag
Leu 105	-	expression tag
Glu 106	-	expression tag
Val 107	-	expression tag
Leu 108	-	expression tag
Phe 109	-	expression tag
Gln 110	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	130018.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1095.1
All*	Total formula weight	131113.7

*Water molecules are not included.