6FB2

Crystal Structure of a Tailored I-CreI Homing Endonuclease Protein (3115 variant) in complex with its target DNA (Haemoglobin beta subunit gene) in the presence of Manganese

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA endonuclease I-CreI	polymer	153	17528.2	1	UniProt (P05725) Pfam (PF00961)	Chlamydomonas reinhardtii (Chlamydomonas smithii)	23S rRNA intron protein
2	B (B)	DNA endonuclease I-CreI	polymer	154	17583.2	1	UniProt (P05725) Pfam (PF00961)	Chlamydomonas reinhardtii (Chlamydomonas smithii)	23S rRNA intron protein
3	C (D)	DNA (5'-D(*TP*CP*AP*GP*AP*CP*TP*TP*CP*TP*CP*CP*AP*C)-3')	polymer	14	4175.7	1		synthetic construct
4	D (F)	DNA (5'-D(*TP*CP*TP*GP*AP*CP*TP*CP*CP*TP*GP*TP*GP*G)-3')	polymer	14	4262.8	1		synthetic construct
5	E (E)	DNA (5'-D(P*AP*GP*GP*AP*GP*TP*CP*AP*GP*A)-3')	polymer	10	3118.1	1		synthetic construct
6	F (G)	DNA (5'-D(P*AP*GP*AP*AP*GP*TP*CP*TP*GP*A)-3')	polymer	10	3093.1	1		synthetic construct
7	G, H, I (A)	MANGANESE (II) ION	non-polymer		54.9	3	Chemie (MN)
8	J, K, L, M, N (A, B, F, E, G)	water	water		18.0	11	Chemie (HOH)

Sequence modifications

A: 2 - 154 (UniProt: P05725)

PDB	External Database	Details
Ser 19	Gly 19	conflict
Val 33	Tyr 33	conflict
Arg 38	Gln 38	conflict
Gln 40	Ser 40	conflict
Asp 44	Gln 44	conflict
Ala 68	Arg 68	conflict
Ser 70	Arg 70	conflict
Lys 75	Asp 75	conflict
Arg 77	Ile 77	conflict

B: 2 - 155 (UniProt: P05725)

PDB	External Database	Details
Gly 33	Tyr 33	conflict
Lys 38	Gln 38	conflict
Lys 44	Gln 44	conflict
Tyr 68	Arg 68	conflict
Ser 70	Arg 70	conflict
Asn 75	Asp 75	conflict
Tyr 77	Ile 77	conflict
Val 132	Ile 132	conflict

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	49761.0
Non-Polymers*	Number of molecules	3
	Total formula weight	164.8
All*	Total formula weight	49925.8

*Water molecules are not included.