6JE4

Crystal structure of Nme1Cas9-sgRNA-dsDNA dimer mediated by double protein inhibitor AcrIIC3 monomers

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E, K, O	CRISPR-associated endonuclease Cas9	polymer	1083	124589.9	4	UniProt (C9X1G5) Pfam (PF13395) Pfam (PF18541) In PDB	Neisseria meningitidis 8013
2	C, G, M, Q	target DNA strand	polymer	35	10836.0	4		synthetic construct
3	D, H, N, R	non-target DNA strand	polymer	35	10858.0	4		synthetic construct
4	B, F, L, P	sgRNA	polymer	135	43059.4	4		synthetic construct
5	I, J, S, T	AcrIIC3	polymer	117	13457.4	4	UniProt (A0A3E2QDI5) UniProt (by SIFTS) (A0A425B395) In PDB	Neisseria meningitidis 8013
6	F, J, K, L, O...	1,2-ETHANEDIOL	non-polymer		62.1	18	Chemie (EDO)
7	F, K, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
8		water	water		18.0	63	Chemie (HOH)

Sequence modifications

A, E, K, O: 1 - 1082 (UniProt: C9X1G5)

PDB	External Database	Details
Ser 0	-	expression tag
Ala 16	Asp 16	engineered mutation
Ala 588	His 588	engineered mutation

I, J, S, T: 1 - 116 (UniProt: A0A3E2QDI5)

PDB	External Database	Details
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	20
	Total formula weight	811202.8
Non-Polymers*	Number of molecules	21
	Total formula weight	1435.6
All*	Total formula weight	812638.4

*Water molecules are not included.