3NKH

Crystal Structure of Integrase from MRSA strain Staphylococcus aureus

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)	Integrase	polymer	244	28511.7	2	UniProt (A8Z1E8)	Staphylococcus aureus subsp. aureus USA300_TCH1516
2	C, E, K, O (A, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
3	D, G, L, N (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	F, H, M (A, B)	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	3	Chemie (MRD)
5	I, J (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
6	P, Q (A, B)	water	water		18.0	188	Chemie (HOH)

Sequence modifications

A, B: 1 - 220 (UniProt: A8Z1E8)

PDB	External Database	Details
Mse -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57023.4
Non-Polymers*	Number of molecules	13
	Total formula weight	1116.9
All*	Total formula weight	58140.3

*Water molecules are not included.