8TZZ

SpG Cas9 with NGC PAM DNA target

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	CRISPR-associated endonuclease Cas9/Csn1	polymer	1385	160860.5	1	UniProt (Q99ZW2) Pfam (PF16593) Pfam (PF16592) Pfam (PF13395) Pfam (PF22702) Pfam (PF16595)	Streptococcus pyogenes	SpCas9,SpyCas9
2	B (B)	RNA (98-MER)	polymer	98	31702.9	1		synthetic construct
3	C (C)	DNA (5'-D(P*CP*GP*TP*TP*TP*GP*TP*AP*CP*TP*GP*CP*AP*GP*CP*G)-3')	polymer	16	4905.2	1		synthetic construct
4	D (c)	DNA (5'-D(P*TP*CP*TP*CP*AP*TP*CP*TP*TP*TP*AP*TP*GP*CP*GP*TP*C)-3')	polymer	17	5119.3	1		synthetic construct
5	E (D)	DNA (5'-D(P*TP*GP*CP*AP*GP*TP*AP*CP*AP*AP*AP*CP*G)-3')	polymer	13	3984.6	1		synthetic construct
6	F, G, H, I, J (A, B, c)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
7	K, L, M (A, B, c)	water	water		18.0	5	Chemie (HOH)

Sequence modifications

A: 2 - 1367 (UniProt: Q99ZW2)

PDB	External Database	Details
Met -17	-	initiating methionine
Lys -16	-	expression tag
Arg -15	-	expression tag
Thr -14	-	expression tag
Ala -13	-	expression tag
Asp -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
Glu -9	-	expression tag
Phe -8	-	expression tag
Glu -7	-	expression tag
Ser -6	-	expression tag
Pro -5	-	expression tag
Lys -4	-	expression tag
Lys -3	-	expression tag
Lys -2	-	expression tag
Arg -1	-	expression tag
Lys 0	-	expression tag
Val 1	-	expression tag
Leu 1135	Asp 1135	conflict
Trp 1136	Ser 1136	conflict
Lys 1218	Gly 1218	conflict
Gln 1219	Glu 1219	conflict
Gln 1335	Arg 1335	conflict
Arg 1337	Thr 1337	conflict

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	206572.5
Non-Polymers*	Number of molecules	5
	Total formula weight	121.5
All*	Total formula weight	206694.0

*Water molecules are not included.