5U31: AacC2c1-sgRNA-8mer substrate DNA ternary complex

Crystal structure of AacC2c1-sgRNA-8mer substrate DNA ternary complex. Determined by X-ray diffraction at 2.89 Å resolution. Released 25 Jan 2017.

Method: X-ray diffraction
Resolution: 2.89 Å
Organisms: Alicyclobacillus acidoterrestris, Homo sapiens
Chains: 5
Atoms: 11,871
Mol. weight: 181.55 kDa
Released: 25 Jan 2017

Explore 5U31 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5U31 contains 49 α-helices and 38 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 49 helices, 38 β-strands

Element	Residues	Length	Sheet
β-strand	2-9	8	1
β-strand	10	1	2
α-helix	16-44	29
β-strand	48-51	4	3
α-helix	52	1
β-strand	59-63	5	3
α-helix	65-82	18
α-helix	92-106	15
α-helix	108-110	3
α-helix	117-129	13
α-helix	144-146	3
α-helix	147-153	7
α-helix	160-171	12
α-helix	175-184	10
β-strand	203	1	4
α-helix	204-207	4
α-helix	215-256	42
α-helix	261-276	16
α-helix	282-283	2
α-helix	299-307	9
α-helix	315-328	14
α-helix	336-342	7
α-helix	345-347	3
α-helix	349-352	4
α-helix	357-373	17
β-strand	393-394	2	1
β-strand	395	1	5
α-helix	396	1
β-strand	403	1	5
β-strand	404-407	4	4
β-strand	417-427	11	4
β-strand	430-440	11	4
β-strand	441	1	2
α-helix	445-449	5
β-strand	450-452	3	1
β-strand	460-463	4	1
α-helix	471	1
β-strand	472-482	11	1
β-strand	501-509	9	1
α-helix	511-514	4
α-helix	521-524	4
β-strand	526-529	4	6
β-strand	534-537	4	6
α-helix	542-548	7
α-helix	556-559	4
β-strand	565-571	7	6
β-strand	577-586	10	6
α-helix	598-600	3
β-strand	601-603	3	6
β-strand	610-620	11	6
α-helix	621-622	2
α-helix	629-637	9
α-helix	640-657	18
α-helix	666-674	9
α-helix	686-700	15
α-helix	708-738	31
α-helix	758-775	18
α-helix	795-821	27
β-strand	823-826	4	7
β-strand	834-837	4	7
β-strand	844-849	6	6
α-helix	861-870	10
α-helix	872-883	12
β-strand	889-894	6	6
β-strand	901	1	8
β-strand	908	1	8
β-strand	910-914	5	9
α-helix	917-919	3
α-helix	925-928	4
α-helix	930-939	10
α-helix	946-947	2
β-strand	951-953	3	9
β-strand	959-963	5	9
β-strand	971-975	5	9
α-helix	976-989	14
α-helix	994-996	3
β-strand	998-1005	8	10
β-strand	1010-1014	5	10
α-helix	1018-1025	8
β-strand	1030-1031	2	10
β-strand	1037-1040	4	10
β-strand	1075-1078	4	10
α-helix	1086-1088	3
β-strand	1090-1092	3	10
α-helix	1093-1101	9
α-helix	1102-1106	5
α-helix	1107-1112	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
CRISPR-associated endonuclease C2c1	A	protein	1130	Alicyclobacillus acidoterrestris	T0D7A2 (AlphaFold model)
sgRNA	B	RNA	112	Alicyclobacillus acidoterrestris
Target DNA strand	C	DNA	28	Homo sapiens
Non-target DNA strand	D, E	DNA	8	Homo sapiens

Sequence of entity 1 (A), FASTA

>5U31_1 CRISPR-associated endonuclease C2c1 (chains A)
SMAVKSIKVKLRLDDMPEIRAGLWKLHKEVNAGVRYYTEWLSLLRQENLYRRSPNGDGEQ
ECDKTAEECKAELLERLRARQVENGHRGPAGSDDELLQLARQLYELLVPQAIGAKGDAQQ
IARKFLSPLADKDAVGGLGIAKAGNKPRWVRMREAGEPGWEEEKEKAETRKSADRTADVL
RALADFGLKPLMRVYTDSEMSSVEWKPLRKGQAVRTWDRDMFQQAIERMMSWESWNQRVG
QEYAKLVEQKNRFEQKNFVGQEHLVHLVNQLQQDMKEASPGLESKEQTAHYVTGRALRGS
DKVFEKWGKLAPDAPFDLYDAEIKNVQRRNTRRFGSHDLFAKLAEPEYQALWREDASFLT
RYAVYNSILRKLNHAKMFATFTLPDATAHPIWTRFDKLGGNLHQYTFLFNEFGERRHAIR
FHKLLKVENGVAREVDDVTVPISMSEQLDNLLPRDPNEPIALYFRDYGAEQHFTGEFGGA
KIQCRRDQLAHMHRRRGARDVYLNVSVRVQSQSEARGERRPPYAAVFRLVGDNHRAFVHF
DKLSDYLAEHPDDGKLGSEGLLSGLRVMSVALGLRTSASISVFRVARKDELKPNSKGRVP
FFFPIKGNDNLVAVHERSQLLKLPGETESKDLRAIREERQRTLRQLRTQLAYLRLLVRCG
SEDVGRRERSWAKLIEQPVDAANHMTPDWREAFENELQKLKSLHGICSDKEWMDAVYESV
RRVWRHMGKQVRDWRKDVRSGERPKIRGYAKDVVGGNSIEQIEYLERQYKFLKSWSFFGK
VSGQVIRAEKGSRFAITLREHIDHAKEDRLKKLADRIIMEALGYVYALDERGKGKWVAKY
PPCQLILLAELSEYQFNNDRPPSENNQLMQWSHRGVFQELINQAQVHDLLVGTMYAAFSS
RFDARTGAPGIRCRRVPARCTQEHNPEPFPWWLNKFVVEHTLDACPLRADDLIPTGEGEI
FVSPFSAEEGDFHQIHAALNAAQNLQQRLWSDFDISQIRLRCDWGEVDGELVLIPRLTGK
RTADSYSNKVFYTNTGVTYYERERGKKRRKVFAQEKLSEEEAELLVEADEAREKSVVLMR
DPSGIINRGNWTRQKEFWSMVNQRIEGYLVKQIRSRVPLQDSACENTGDI

Sequence of entity 2 (B), FASTA

>5U31_2 sgRNA (chains B)
GGUCUAGAGGACAGAAUUUUUCAACGGGUGUGCCAAUGGCCACUUUCCAGGUGGCAAAGC
CCGUUGAGCUUCUCAAAUCUGAGAAGUGGCACCAGAACCGGAGGACAAAGUC

Sequence of entity 3 (C), FASTA

>5U31_3 Target DNA strand (chains C)
GACTTTGTCCTCCGGTTCTGGAACCACA

Sequence of entity 4 (D, E), FASTA

>5U31_4 Non-target DNA strand (chains D, E)
TGTGGTTC

Primary citation

PAM-Dependent Target DNA Recognition and Cleavage by C2c1 CRISPR-Cas Endonuclease. Yang, H., Gao, P., Rajashankar, K.R. et al. Cell (2016) 167:1814-1828.e12. DOI 10.1016/j.cell.2016.11.053 · PubMed

Other PDB entries of the same protein (UniProt T0D7A2 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5U30 2.92 Å, Crystal structure of AacC2c1-sgRNA-extended target DNA ternary complex
5WQE 3.13 Å, Crystal structure of Alicyclobacillus acidoterrestris C2c1 in complex with single-guide…
5U34 3.25 Å, Crystal structure of AacC2c1-sgRNA binary complex
5U33 3.75 Å, Crystal structure of AacC2c1-sgRNA-extended non-target DNA ternary complex

Browse structure collections

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