5AKN

THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA NICKED IN THE non-CODING STRAND B 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, F, J (A, F, K)	HOMING ENDONUCLEASE I-DMOI	polymer	199	23210.0	3	UniProt (P21505) Pfam (PF14528)	DESULFUROCOCCUS MOBILIS
2	B, G (B, G)	5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3'	polymer	14	4296.8	2		SYNTHETIC CONSTRUCT
3	C (C)	5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3	polymer	11	3366.2	1		SYNTHETIC CONSTRUCT
4	D (D)	D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*CP)-3'	polymer	15	4555.0	1		SYNTHETIC CONSTRUCT
5	E, I, M (E, J, O)	5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*CP)-3'	polymer	10	3055.0	3		SYNTHETIC CONSTRUCT
6	H, L (H, M)	5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP*CP*GP*CP *GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*CP)-3'	polymer	26	7966.1	2		SYNTHETIC CONSTRUCT
7	K (L)	5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP *CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*C)-3'	polymer	29	8896.7	1		SYNTHETIC CONSTRUCT
8	N, O, P, Q, R... (A, F, K)	MANGANESE (II) ION	non-polymer		54.9	6	Chemie (MN)
9	AA, BA, CA, DA, EA... (H, J, K, L, M...)	water	water		18.0	192	Chemie (HOH)

Sequence modifications

A, F, K: 2 - 188 (UniProt: P21505)

PDB	External Database	Details
Ala 1	-	expression tag
Ala 42	Gln 42	engineered mutation
Met 120	Lys 120	engineered mutation
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

Contents of the asymmetric unit

Polymers	Number of chains	13
	Total formula weight	120138.7
Non-Polymers*	Number of molecules	6
	Total formula weight	329.6
All*	Total formula weight	120468.4

*Water molecules are not included.