BMRB Entry 51755

Name: Clr4 protein Solution NMR Chemical Shifts
Published: 2023-09-01

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51755

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Clr4 protein Solution NMR Chemical Shifts PubMed: 38443490

Deposition date: 2022-12-30 Original release date: 2023-09-01

Authors: Akoury, Elias; Saab, Christopher; Stephan, Joseph

Citation: Saab, Christopher; Stephan, Joseph; Akoury, Elias. "Structural insights into the binding mechanism of Clr4 methyltransferase to H3K9 methylated nucleosome" Sci. Rep. 14, 5438-5438 (2024).

Assembly members:
entity_1, polymer, 490 residues, Formula weight is not available

Natural source: Common Name: baker's yeast Taxonomy ID: 4932 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Saccharomyces cerevisiae

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: peT

Entity Sequences (FASTA):
entity_1: MSPKQEEYEVERIVDEKLDR NGAVKLYRIRWLNYSSRSDT WEPPENLSGCSAVLAEWKRR KRRLKGSNSDSDSPHHASNP HPNSRQKHQHQTSKSVPRSQ RFSRELNVKKENKKVFSSQT TKRQSRKQSTALTTNDTSII LDDSLHTNSKKLGKTRNEVK EESQKRELVSNSIKEATSPK TSSILTKPRNPSKLDSYTHL SFYEKRELFRKKLREIEGPE VTLVNEVDDEPCPSLDFQFI SQYRLTQGVIPPDPNFQSGC NCSSLGGCDLNNPSRCECLD DLDEPTHFAYDAQGRVRADY GAVIYECNSFCSCSMECPNR VVQRGRTLPLEIFKTKEKGW GVRSLRFAPAGTFITCYLGE VITSAEAAKRDKNYDDDGIT YLFDLDMFDDASEYTVDAQN YGDVSRFFNHSCSPNIAIYS AVRNHGFRTIYDLAFFAIKD IQPLEELTFDYAGAKDFSPV QSQKSQQNRISKLRRQCKCG SANCRGWLFG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	1307
15N chemical shifts	444
1H chemical shifts	442

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Clr4	1

Entities:

Entity 1, Clr4 490 residues - Formula weight is not available

1	MET	SER	PRO	LYS	GLN	GLU	GLU	TYR	GLU	VAL
2	GLU	ARG	ILE	VAL	ASP	GLU	LYS	LEU	ASP	ARG
3	ASN	GLY	ALA	VAL	LYS	LEU	TYR	ARG	ILE	ARG
4	TRP	LEU	ASN	TYR	SER	SER	ARG	SER	ASP	THR
5	TRP	GLU	PRO	PRO	GLU	ASN	LEU	SER	GLY	CYS
6	SER	ALA	VAL	LEU	ALA	GLU	TRP	LYS	ARG	ARG
7	LYS	ARG	ARG	LEU	LYS	GLY	SER	ASN	SER	ASP
8	SER	ASP	SER	PRO	HIS	HIS	ALA	SER	ASN	PRO
9	HIS	PRO	ASN	SER	ARG	GLN	LYS	HIS	GLN	HIS
10	GLN	THR	SER	LYS	SER	VAL	PRO	ARG	SER	GLN
11	ARG	PHE	SER	ARG	GLU	LEU	ASN	VAL	LYS	LYS
12	GLU	ASN	LYS	LYS	VAL	PHE	SER	SER	GLN	THR
13	THR	LYS	ARG	GLN	SER	ARG	LYS	GLN	SER	THR
14	ALA	LEU	THR	THR	ASN	ASP	THR	SER	ILE	ILE
15	LEU	ASP	ASP	SER	LEU	HIS	THR	ASN	SER	LYS
16	LYS	LEU	GLY	LYS	THR	ARG	ASN	GLU	VAL	LYS
17	GLU	GLU	SER	GLN	LYS	ARG	GLU	LEU	VAL	SER
18	ASN	SER	ILE	LYS	GLU	ALA	THR	SER	PRO	LYS
19	THR	SER	SER	ILE	LEU	THR	LYS	PRO	ARG	ASN
20	PRO	SER	LYS	LEU	ASP	SER	TYR	THR	HIS	LEU
21	SER	PHE	TYR	GLU	LYS	ARG	GLU	LEU	PHE	ARG
22	LYS	LYS	LEU	ARG	GLU	ILE	GLU	GLY	PRO	GLU
23	VAL	THR	LEU	VAL	ASN	GLU	VAL	ASP	ASP	GLU
24	PRO	CYS	PRO	SER	LEU	ASP	PHE	GLN	PHE	ILE
25	SER	GLN	TYR	ARG	LEU	THR	GLN	GLY	VAL	ILE
26	PRO	PRO	ASP	PRO	ASN	PHE	GLN	SER	GLY	CYS
27	ASN	CYS	SER	SER	LEU	GLY	GLY	CYS	ASP	LEU
28	ASN	ASN	PRO	SER	ARG	CYS	GLU	CYS	LEU	ASP
29	ASP	LEU	ASP	GLU	PRO	THR	HIS	PHE	ALA	TYR
30	ASP	ALA	GLN	GLY	ARG	VAL	ARG	ALA	ASP	TYR
31	GLY	ALA	VAL	ILE	TYR	GLU	CYS	ASN	SER	PHE
32	CYS	SER	CYS	SER	MET	GLU	CYS	PRO	ASN	ARG
33	VAL	VAL	GLN	ARG	GLY	ARG	THR	LEU	PRO	LEU
34	GLU	ILE	PHE	LYS	THR	LYS	GLU	LYS	GLY	TRP
35	GLY	VAL	ARG	SER	LEU	ARG	PHE	ALA	PRO	ALA
36	GLY	THR	PHE	ILE	THR	CYS	TYR	LEU	GLY	GLU
37	VAL	ILE	THR	SER	ALA	GLU	ALA	ALA	LYS	ARG
38	ASP	LYS	ASN	TYR	ASP	ASP	ASP	GLY	ILE	THR
39	TYR	LEU	PHE	ASP	LEU	ASP	MET	PHE	ASP	ASP
40	ALA	SER	GLU	TYR	THR	VAL	ASP	ALA	GLN	ASN
41	TYR	GLY	ASP	VAL	SER	ARG	PHE	PHE	ASN	HIS
42	SER	CYS	SER	PRO	ASN	ILE	ALA	ILE	TYR	SER
43	ALA	VAL	ARG	ASN	HIS	GLY	PHE	ARG	THR	ILE
44	TYR	ASP	LEU	ALA	PHE	PHE	ALA	ILE	LYS	ASP
45	ILE	GLN	PRO	LEU	GLU	GLU	LEU	THR	PHE	ASP
46	TYR	ALA	GLY	ALA	LYS	ASP	PHE	SER	PRO	VAL
47	GLN	SER	GLN	LYS	SER	GLN	GLN	ASN	ARG	ILE
48	SER	LYS	LEU	ARG	ARG	GLN	CYS	LYS	CYS	GLY
49	SER	ALA	ASN	CYS	ARG	GLY	TRP	LEU	PHE	GLY

Samples:

sample_1: Clr4 protein, [U-100% 15N], 1 mM; Clr4 protein, [U-100% 13C; U-100% 15N], 1 mM; phosphate buffer 50 mM; NaCl 150 mM; DTT 1 mM

sample_conditions_1: ionic strength: 0.5 M; pH: 6.8; pressure: 1 atm; temperature: 288 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

1	MET	SER	PRO	LYS	GLN	GLU	GLU	TYR	GLU	VAL
2	GLU	ARG	ILE	VAL	ASP	GLU	LYS	LEU	ASP	ARG
3	ASN	GLY	ALA	VAL	LYS	LEU	TYR	ARG	ILE	ARG
4	TRP	LEU	ASN	TYR	SER	SER	ARG	SER	ASP	THR
5	TRP	GLU	PRO	PRO	GLU	ASN	LEU	SER	GLY	CYS
6	SER	ALA	VAL	LEU	ALA	GLU	TRP	LYS	ARG	ARG
7	LYS	ARG	ARG	LEU	LYS	GLY	SER	ASN	SER	ASP
8	SER	ASP	SER	PRO	HIS	HIS	ALA	SER	ASN	PRO
9	HIS	PRO	ASN	SER	ARG	GLN	LYS	HIS	GLN	HIS
10	GLN	THR	SER	LYS	SER	VAL	PRO	ARG	SER	GLN
11	ARG	PHE	SER	ARG	GLU	LEU	ASN	VAL	LYS	LYS
12	GLU	ASN	LYS	LYS	VAL	PHE	SER	SER	GLN	THR
13	THR	LYS	ARG	GLN	SER	ARG	LYS	GLN	SER	THR
14	ALA	LEU	THR	THR	ASN	ASP	THR	SER	ILE	ILE
15	LEU	ASP	ASP	SER	LEU	HIS	THR	ASN	SER	LYS
16	LYS	LEU	GLY	LYS	THR	ARG	ASN	GLU	VAL	LYS
17	GLU	GLU	SER	GLN	LYS	ARG	GLU	LEU	VAL	SER
18	ASN	SER	ILE	LYS	GLU	ALA	THR	SER	PRO	LYS
19	THR	SER	SER	ILE	LEU	THR	LYS	PRO	ARG	ASN
20	PRO	SER	LYS	LEU	ASP	SER	TYR	THR	HIS	LEU
21	SER	PHE	TYR	GLU	LYS	ARG	GLU	LEU	PHE	ARG
22	LYS	LYS	LEU	ARG	GLU	ILE	GLU	GLY	PRO	GLU
23	VAL	THR	LEU	VAL	ASN	GLU	VAL	ASP	ASP	GLU
24	PRO	CYS	PRO	SER	LEU	ASP	PHE	GLN	PHE	ILE
25	SER	GLN	TYR	ARG	LEU	THR	GLN	GLY	VAL	ILE
26	PRO	PRO	ASP	PRO	ASN	PHE	GLN	SER	GLY	CYS
27	ASN	CYS	SER	SER	LEU	GLY	GLY	CYS	ASP	LEU
28	ASN	ASN	PRO	SER	ARG	CYS	GLU	CYS	LEU	ASP
29	ASP	LEU	ASP	GLU	PRO	THR	HIS	PHE	ALA	TYR
30	ASP	ALA	GLN	GLY	ARG	VAL	ARG	ALA	ASP	TYR
31	GLY	ALA	VAL	ILE	TYR	GLU	CYS	ASN	SER	PHE
32	CYS	SER	CYS	SER	MET	GLU	CYS	PRO	ASN	ARG
33	VAL	VAL	GLN	ARG	GLY	ARG	THR	LEU	PRO	LEU
34	GLU	ILE	PHE	LYS	THR	LYS	GLU	LYS	GLY	TRP
35	GLY	VAL	ARG	SER	LEU	ARG	PHE	ALA	PRO	ALA
36	GLY	THR	PHE	ILE	THR	CYS	TYR	LEU	GLY	GLU
37	VAL	ILE	THR	SER	ALA	GLU	ALA	ALA	LYS	ARG
38	ASP	LYS	ASN	TYR	ASP	ASP	ASP	GLY	ILE	THR
39	TYR	LEU	PHE	ASP	LEU	ASP	MET	PHE	ASP	ASP
40	ALA	SER	GLU	TYR	THR	VAL	ASP	ALA	GLN	ASN
41	TYR	GLY	ASP	VAL	SER	ARG	PHE	PHE	ASN	HIS
42	SER	CYS	SER	PRO	ASN	ILE	ALA	ILE	TYR	SER
43	ALA	VAL	ARG	ASN	HIS	GLY	PHE	ARG	THR	ILE
44	TYR	ASP	LEU	ALA	PHE	PHE	ALA	ILE	LYS	ASP
45	ILE	GLN	PRO	LEU	GLU	GLU	LEU	THR	PHE	ASP
46	TYR	ALA	GLY	ALA	LYS	ASP	PHE	SER	PRO	VAL
47	GLN	SER	GLN	LYS	SER	GLN	GLN	ASN	ARG	ILE
48	SER	LYS	LEU	ARG	ARG	GLN	CYS	LYS	CYS	GLY
49	SER	ALA	ASN	CYS	ARG	GLY	TRP	LEU	PHE	GLY

1	MET	SER	PRO	LYS	GLN	GLU	GLU	TYR	GLU	VAL
2	GLU	ARG	ILE	VAL	ASP	GLU	LYS	LEU	ASP	ARG
3	ASN	GLY	ALA	VAL	LYS	LEU	TYR	ARG	ILE	ARG
4	TRP	LEU	ASN	TYR	SER	SER	ARG	SER	ASP	THR
5	TRP	GLU	PRO	PRO	GLU	ASN	LEU	SER	GLY	CYS
6	SER	ALA	VAL	LEU	ALA	GLU	TRP	LYS	ARG	ARG
7	LYS	ARG	ARG	LEU	LYS	GLY	SER	ASN	SER	ASP
8	SER	ASP	SER	PRO	HIS	HIS	ALA	SER	ASN	PRO
9	HIS	PRO	ASN	SER	ARG	GLN	LYS	HIS	GLN	HIS
10	GLN	THR	SER	LYS	SER	VAL	PRO	ARG	SER	GLN
11	ARG	PHE	SER	ARG	GLU	LEU	ASN	VAL	LYS	LYS
12	GLU	ASN	LYS	LYS	VAL	PHE	SER	SER	GLN	THR
13	THR	LYS	ARG	GLN	SER	ARG	LYS	GLN	SER	THR
14	ALA	LEU	THR	THR	ASN	ASP	THR	SER	ILE	ILE
15	LEU	ASP	ASP	SER	LEU	HIS	THR	ASN	SER	LYS
16	LYS	LEU	GLY	LYS	THR	ARG	ASN	GLU	VAL	LYS
17	GLU	GLU	SER	GLN	LYS	ARG	GLU	LEU	VAL	SER
18	ASN	SER	ILE	LYS	GLU	ALA	THR	SER	PRO	LYS
19	THR	SER	SER	ILE	LEU	THR	LYS	PRO	ARG	ASN
20	PRO	SER	LYS	LEU	ASP	SER	TYR	THR	HIS	LEU
21	SER	PHE	TYR	GLU	LYS	ARG	GLU	LEU	PHE	ARG
22	LYS	LYS	LEU	ARG	GLU	ILE	GLU	GLY	PRO	GLU
23	VAL	THR	LEU	VAL	ASN	GLU	VAL	ASP	ASP	GLU
24	PRO	CYS	PRO	SER	LEU	ASP	PHE	GLN	PHE	ILE
25	SER	GLN	TYR	ARG	LEU	THR	GLN	GLY	VAL	ILE
26	PRO	PRO	ASP	PRO	ASN	PHE	GLN	SER	GLY	CYS
27	ASN	CYS	SER	SER	LEU	GLY	GLY	CYS	ASP	LEU
28	ASN	ASN	PRO	SER	ARG	CYS	GLU	CYS	LEU	ASP
29	ASP	LEU	ASP	GLU	PRO	THR	HIS	PHE	ALA	TYR
30	ASP	ALA	GLN	GLY	ARG	VAL	ARG	ALA	ASP	TYR
31	GLY	ALA	VAL	ILE	TYR	GLU	CYS	ASN	SER	PHE
32	CYS	SER	CYS	SER	MET	GLU	CYS	PRO	ASN	ARG
33	VAL	VAL	GLN	ARG	GLY	ARG	THR	LEU	PRO	LEU
34	GLU	ILE	PHE	LYS	THR	LYS	GLU	LYS	GLY	TRP
35	GLY	VAL	ARG	SER	LEU	ARG	PHE	ALA	PRO	ALA
36	GLY	THR	PHE	ILE	THR	CYS	TYR	LEU	GLY	GLU
37	VAL	ILE	THR	SER	ALA	GLU	ALA	ALA	LYS	ARG
38	ASP	LYS	ASN	TYR	ASP	ASP	ASP	GLY	ILE	THR
39	TYR	LEU	PHE	ASP	LEU	ASP	MET	PHE	ASP	ASP
40	ALA	SER	GLU	TYR	THR	VAL	ASP	ALA	GLN	ASN
41	TYR	GLY	ASP	VAL	SER	ARG	PHE	PHE	ASN	HIS
42	SER	CYS	SER	PRO	ASN	ILE	ALA	ILE	TYR	SER
43	ALA	VAL	ARG	ASN	HIS	GLY	PHE	ARG	THR	ILE
44	TYR	ASP	LEU	ALA	PHE	PHE	ALA	ILE	LYS	ASP
45	ILE	GLN	PRO	LEU	GLU	GLU	LEU	THR	PHE	ASP
46	TYR	ALA	GLY	ALA	LYS	ASP	PHE	SER	PRO	VAL
47	GLN	SER	GLN	LYS	SER	GLN	GLN	ASN	ARG	ILE
48	SER	LYS	LEU	ARG	ARG	GLN	CYS	LYS	CYS	GLY
49	SER	ALA	ASN	CYS	ARG	GLY	TRP	LEU	PHE	GLY

1	MET	SER	PRO	LYS	GLN	GLU	GLU	TYR	GLU	VAL
2	GLU	ARG	ILE	VAL	ASP	GLU	LYS	LEU	ASP	ARG
3	ASN	GLY	ALA	VAL	LYS	LEU	TYR	ARG	ILE	ARG
4	TRP	LEU	ASN	TYR	SER	SER	ARG	SER	ASP	THR
5	TRP	GLU	PRO	PRO	GLU	ASN	LEU	SER	GLY	CYS
6	SER	ALA	VAL	LEU	ALA	GLU	TRP	LYS	ARG	ARG
7	LYS	ARG	ARG	LEU	LYS	GLY	SER	ASN	SER	ASP
8	SER	ASP	SER	PRO	HIS	HIS	ALA	SER	ASN	PRO
9	HIS	PRO	ASN	SER	ARG	GLN	LYS	HIS	GLN	HIS
10	GLN	THR	SER	LYS	SER	VAL	PRO	ARG	SER	GLN
11	ARG	PHE	SER	ARG	GLU	LEU	ASN	VAL	LYS	LYS
12	GLU	ASN	LYS	LYS	VAL	PHE	SER	SER	GLN	THR
13	THR	LYS	ARG	GLN	SER	ARG	LYS	GLN	SER	THR
14	ALA	LEU	THR	THR	ASN	ASP	THR	SER	ILE	ILE
15	LEU	ASP	ASP	SER	LEU	HIS	THR	ASN	SER	LYS
16	LYS	LEU	GLY	LYS	THR	ARG	ASN	GLU	VAL	LYS
17	GLU	GLU	SER	GLN	LYS	ARG	GLU	LEU	VAL	SER
18	ASN	SER	ILE	LYS	GLU	ALA	THR	SER	PRO	LYS
19	THR	SER	SER	ILE	LEU	THR	LYS	PRO	ARG	ASN
20	PRO	SER	LYS	LEU	ASP	SER	TYR	THR	HIS	LEU
21	SER	PHE	TYR	GLU	LYS	ARG	GLU	LEU	PHE	ARG
22	LYS	LYS	LEU	ARG	GLU	ILE	GLU	GLY	PRO	GLU
23	VAL	THR	LEU	VAL	ASN	GLU	VAL	ASP	ASP	GLU
24	PRO	CYS	PRO	SER	LEU	ASP	PHE	GLN	PHE	ILE
25	SER	GLN	TYR	ARG	LEU	THR	GLN	GLY	VAL	ILE
26	PRO	PRO	ASP	PRO	ASN	PHE	GLN	SER	GLY	CYS
27	ASN	CYS	SER	SER	LEU	GLY	GLY	CYS	ASP	LEU
28	ASN	ASN	PRO	SER	ARG	CYS	GLU	CYS	LEU	ASP
29	ASP	LEU	ASP	GLU	PRO	THR	HIS	PHE	ALA	TYR
30	ASP	ALA	GLN	GLY	ARG	VAL	ARG	ALA	ASP	TYR
31	GLY	ALA	VAL	ILE	TYR	GLU	CYS	ASN	SER	PHE
32	CYS	SER	CYS	SER	MET	GLU	CYS	PRO	ASN	ARG
33	VAL	VAL	GLN	ARG	GLY	ARG	THR	LEU	PRO	LEU
34	GLU	ILE	PHE	LYS	THR	LYS	GLU	LYS	GLY	TRP
35	GLY	VAL	ARG	SER	LEU	ARG	PHE	ALA	PRO	ALA
36	GLY	THR	PHE	ILE	THR	CYS	TYR	LEU	GLY	GLU
37	VAL	ILE	THR	SER	ALA	GLU	ALA	ALA	LYS	ARG
38	ASP	LYS	ASN	TYR	ASP	ASP	ASP	GLY	ILE	THR
39	TYR	LEU	PHE	ASP	LEU	ASP	MET	PHE	ASP	ASP
40	ALA	SER	GLU	TYR	THR	VAL	ASP	ALA	GLN	ASN
41	TYR	GLY	ASP	VAL	SER	ARG	PHE	PHE	ASN	HIS
42	SER	CYS	SER	PRO	ASN	ILE	ALA	ILE	TYR	SER
43	ALA	VAL	ARG	ASN	HIS	GLY	PHE	ARG	THR	ILE
44	TYR	ASP	LEU	ALA	PHE	PHE	ALA	ILE	LYS	ASP
45	ILE	GLN	PRO	LEU	GLU	GLU	LEU	THR	PHE	ASP
46	TYR	ALA	GLY	ALA	LYS	ASP	PHE	SER	PRO	VAL
47	GLN	SER	GLN	LYS	SER	GLN	GLN	ASN	ARG	ILE
48	SER	LYS	LEU	ARG	ARG	GLN	CYS	LYS	CYS	GLY
49	SER	ALA	ASN	CYS	ARG	GLY	TRP	LEU	PHE	GLY