5AKF

THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA NICKED IN THE CODING STRAND A AND IN THE PRESENCE OF 2MM MN

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E, I (A, E, I)	HOMING ENDONUCLEASE I-DMOI	polymer	199	23210.0	3	UniProt (P21505) Pfam (PF14528)	DESULFUROCOCCUS MOBILIS	I-DMOI
2	B, F, J (B, F, J)	5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3'	polymer	14	4296.8	3		SYNTHETIC CONSTRUCT
3	C, G, K (C, G, K)	5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3'	polymer	11	3366.2	3		SYNTHETIC CONSTRUCT
4	D, H, L (D, H, L)	25MER	polymer	25	7654.9	3		SYNTHETIC CONSTRUCT
5	M, P, Q, T (A, B, E, I)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
6	N (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
7	O, R, S (A, E, I)	MANGANESE (II) ION	non-polymer		54.9	3	Chemie (MN)
8	AA, BA, CA, DA, EA... (G, H, I, J, K...)	water	water		18.0	301	Chemie (HOH)

Sequence modifications

A, E, I: 2 - 188 (UniProt: P21505)

PDB	External Database	Details
Ala 1	-	expression tag
Ala 189	-	expression tag
Ala 190	-	expression tag
Ala 191	-	expression tag
Leu 192	-	expression tag
Glu 193	-	expression tag
His 194	-	expression tag
His 195	-	expression tag
His 196	-	expression tag
His 197	-	expression tag
His 198	-	expression tag
His 199	-	expression tag
Ala 42	Gln 42	engineered mutation
Met 120	Lys 120	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	115583.8
Non-Polymers*	Number of molecules	8
	Total formula weight	365.7
All*	Total formula weight	115949.4

*Water molecules are not included.