8RDU

Conformational Landscape of the Type V-K CRISPR-associated TransposonIntegration Assembly CAST V-K composite map

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (1)	sgRNA	polymer	261	84006.5	1		Scytonema hofmannii
2	B (2)	Non-target strand - LE	polymer	68	20961.5	1		Scytonema hofmannii
3	C (3)	Target strand -LE	polymer	133	40822.2	1		Scytonema hofmannii
4	D (4)	LE	polymer	75	23238.0	1		Scytonema hofmannii
5	E (5)	RE	polymer	74	22876.8	1		Scytonema hofmannii
6	F (6)	Non-target strand - RE	polymer	79	24402.7	1		Scytonema hofmannii
7	G (7)	Target strand	polymer	15	4560.0	1		Scytonema hofmannii
8	H (A)	ShCas12k	polymer	698	79479.3	1	UniProt (A0A8X6EH11) UniProt (by SIFTS) (A0A8M0FGU0)	Scytonema hofmannii
9	I (B)	Small ribosomal subunit protein uS15	polymer	90	10376.0	1	UniProt (A0A139X9A4) Pfam (PF00312)	Scytonema hofmannii
10	J (C)	TniQ	polymer	179	20468.8	1	UniProt (A0A8J0PCL5) Pfam (PF06527)	Scytonema hofmannii
11	K, L, M, N, O... (D, E, F, G, H...)	ShTnsC	polymer	276	31400.5	14	UniProt (A0A8J0PCL3) Pfam (PF05621)	Scytonema hofmannii
12	AA, BA, CA, DA, EA... (R, S, T, U, r...)	TnsB	polymer	584	66592.9	8	UniProt (A0A979HMQ2) Pfam (PF13384) Pfam (PF09299)	Scytonema hofmannii
13	AB, CB, DB, GA, GB... (L, M, N, 1, O...)	MAGNESIUM ION	non-polymer		24.3	17	Chemie (MG)
14	HA, IA (C)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
15	BB, EB, FB, HB, JA... (M, N, O, P, D...)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	14	Chemie (ATP)
16	AC, BC, CC, DC, EC... (K, L, M, N, O...)	water	water		18.0	862	Chemie (HOH)

Sequence modifications

A: 2 - 639 (UniProt: A0A8X6EH11)

PDB	External Database	Details
Met -58	-	initiating methionine
Gly -57	-	expression tag
Ser -56	-	expression tag
Ser -55	-	expression tag
His -54	-	expression tag
His -53	-	expression tag
His -52	-	expression tag
His -51	-	expression tag
His -50	-	expression tag
His -49	-	expression tag
Ser -48	-	expression tag
Ser -47	-	expression tag
Gly -46	-	expression tag
Leu -45	-	expression tag
Val -44	-	expression tag
Pro -43	-	expression tag
Arg -42	-	expression tag
Gly -41	-	expression tag
Ser -40	-	expression tag
His -39	-	expression tag
Met -38	-	expression tag
Ala -37	-	expression tag
Ser -36	-	expression tag
Trp -35	-	expression tag
Ser -34	-	expression tag
His -33	-	expression tag
Pro -32	-	expression tag
Gln -31	-	expression tag
Phe -30	-	expression tag
Glu -29	-	expression tag
Lys -28	-	expression tag
Gly -27	-	expression tag
Gly -26	-	expression tag
Gly -25	-	expression tag
Ser -24	-	expression tag
Gly -23	-	expression tag
Gly -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Gly -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ala -16	-	expression tag
Trp -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
Pro -12	-	expression tag
Gln -11	-	expression tag
Phe -10	-	expression tag
Glu -9	-	expression tag
Lys -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

B: 2 - 90 (UniProt: A0A139X9A4)

PDB	External Database	Details
Ser 1	-	expression tag
Ala 3	Thr 2	variant
Glu 7	Gln 6	variant
Val 14	Ser 13	variant
Val 30	Ile 29	variant
Leu 42	Glu 41	variant
Ala 46	Ser 45	variant
Ile 71	Val 70	variant
Lys 73	Gln 72	variant
Asp 74	Gly 73	variant
Lys 78	His 77	variant

C: 1 - 167 (UniProt: A0A8J0PCL5)

PDB	External Database	Details
Gly 168	-	expression tag
Ser 169	-	expression tag
Glu 170	-	expression tag
Phe 171	-	expression tag
Glu 172	-	expression tag
Leu 173	-	expression tag
Glu 174	-	expression tag
Asn 175	-	expression tag
Leu 176	-	expression tag
Tyr 177	-	expression tag
Phe 178	-	expression tag
Gln 179	-	expression tag

D, E, F, G, H, I, J, K, L, M, N, O, P, Q: 2 - 276 (UniProt: A0A8J0PCL3)

PDB	External Database	Details
Ser 1	-	expression tag

R, S, T, U, r, s, t, u: 2 - 584 (UniProt: A0A979HMQ2)

PDB	External Database	Details
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	32
	Total formula weight	1303542.3
Non-Polymers*	Number of molecules	33
	Total formula weight	7644.5
All*	Total formula weight	1311186.8

*Water molecules are not included.