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BMRB: 30543

NMR solution structure of the homodimeric, autoinhibited state of the CARD9 CARD and first coiled-coil

Authors

Holliday, M.J., Fairbrother, W.J., Dueber, E.C.

Assembly

Caspase recruitment domain-containing protein 9

Entity

1. Caspase recruitment domain-containing protein 9, entity 1 (polymer, Thiol state: free and other bound), 142 monomers, 16097.29 × 2 Da Detail

GSDYENDDEC WSVLEGFRVT LTSVIDPSRI TPYLRQCKVL NPDDEEQVLS DPNLVIRKRK VGVLLDILQR TGHKGYVAFL ESLELYYPQL YKKVTGKEPA RVFSMIIDAS GESGLTQLLM TEVMKLQKKV QDLTALLSSK DD

2. Caspase recruitment domain-containing protein 9, entity ZN (non-polymer), 65.409 × 2 Da

Total weight

32325.398 Da

Max. entity weight

16097.29 Da

Entity Connection

na 8 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:ASP3:OD1	2:ZN1:ZN
2	na	sing	1:ASP3:OD2	2:ZN1:ZN
3	na	sing	1:CYS10:SG	2:ZN1:ZN
4	na	sing	1:HIS73:ND1	2:ZN1:ZN
5	na	sing	1:ASP3:OD1	2:ZN1:ZN
6	na	sing	1:ASP3:OD2	2:ZN1:ZN
7	na	sing	1:CYS10:SG	2:ZN1:ZN
8	na	sing	1:HIS73:ND1	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealingsimulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete1

Sequence coverage: 98.6 %, Completeness: 58.4 %, Completeness (bb): 84.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	58.4 % (981 of 1681)	43.3 % (379 of 876)	71.1 % (468 of 658)	91.2 % (134 of 147)
Backbone	84.3 % (708 of 840)	63.6 % (182 of 286)	94.7 % (396 of 418)	95.6 % (130 of 136)
Sidechain	40.7 % (397 of 975)	33.4 % (197 of 590)	52.4 % (196 of 374)	36.4 % (4 of 11)
Aromatic	46.8 % (44 of 94)	57.4 % (27 of 47)	34.8 % (16 of 46)	100.0 % (1 of 1)
Methyl	31.1 % (56 of 180)	30.0 % (27 of 90)	32.2 % (29 of 90)

1. entity 1

GSDYENDDEC WSVLEGFRVT LTSVIDPSRI TPYLRQCKVL NPDDEEQVLS DPNLVIRKRK VGVLLDILQR TGHKGYVAFL ESLELYYPQL YKKVTGKEPA RVFSMIIDAS GESGLTQLLM TEVMKLQKKV QDLTALLSSK DD

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	CARD9_2-142	[U-13C; U-15N]	1 mM
2	Zinc	natural abundance	1 mM
3	HEPES	natural abundance	50 mM
4	NaCl	natural abundance	300 mM
5	TCEP	natural abundance	0.5 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 100% D2O

#	Name	Isotope labeling	Concentration
6	CARD9_2-142	[U-13C; U-15N]	1 mM
7	Zinc	natural abundance	1 mM
8	HEPES	natural abundance	50 mM
9	NaCl	natural abundance	300 mM
10	TCEP	natural abundance	0.5 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N; U-2H] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	CARD9_2-142	[U-13C; U-15N; U-2H]	1 mM
12	Zinc	natural abundance	1 mM
13	HEPES	natural abundance	50 mM
14	NaCl	natural abundance	300 mM
15	TCEP	natural abundance	0.5 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, unlabeled 1 mM CARD9_2-142, 2 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
16	CARD9_2-142	[U-13C; U-15N]	1 mM
17	Zinc	natural abundance	2 mM
18	unlabeled CARD9_2-142	natural abundance	1 mM
19	HEPES	natural abundance	50 mM
20	NaCl	natural abundance	300 mM
21	TCEP	natural abundance	0.5 mM

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 14 mg/mL filamentous Pf1 bacteriophage, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
22	CARD9_2-142	[U-13C; U-15N]	1 mM
23	Zinc	natural abundance	1 mM
24	filamentous Pf1 bacteriophage	natural abundance	14 mg/mL
25	HEPES	natural abundance	50 mM
26	NaCl	natural abundance	900 mM
27	TCEP	natural abundance	0.5 mM

Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 76.2 %, Completeness (bb): 89.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.2 % (2561 of 3362)	67.7 % (1186 of 1752)	83.5 % (1099 of 1316)	93.9 % (276 of 294)
Backbone	89.9 % (1511 of 1680)	78.8 % (451 of 572)	95.6 % (799 of 836)	96.0 % (261 of 272)
Sidechain	66.8 % (1303 of 1950)	62.3 % (735 of 1180)	73.9 % (553 of 748)	68.2 % (15 of 22)
Aromatic	73.4 % (138 of 188)	78.7 % (74 of 94)	67.4 % (62 of 92)	100.0 % (2 of 2)
Methyl	64.7 % (233 of 360)	63.9 % (115 of 180)	65.6 % (118 of 180)

1. entity 1

GSDYENDDEC WSVLEGFRVT LTSVIDPSRI TPYLRQCKVL NPDDEEQVLS DPNLVIRKRK VGVLLDILQR TGHKGYVAFL ESLELYYPQL YKKVTGKEPA RVFSMIIDAS GESGLTQLLM TEVMKLQKKV QDLTALLSSK DD

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	CARD9_2-142	[U-13C; U-15N]	1 mM
2	Zinc	natural abundance	1 mM
3	HEPES	natural abundance	50 mM
4	NaCl	natural abundance	300 mM
5	TCEP	natural abundance	0.5 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 100% D2O

#	Name	Isotope labeling	Concentration
6	CARD9_2-142	[U-13C; U-15N]	1 mM
7	Zinc	natural abundance	1 mM
8	HEPES	natural abundance	50 mM
9	NaCl	natural abundance	300 mM
10	TCEP	natural abundance	0.5 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N; U-2H] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	CARD9_2-142	[U-13C; U-15N; U-2H]	1 mM
12	Zinc	natural abundance	1 mM
13	HEPES	natural abundance	50 mM
14	NaCl	natural abundance	300 mM
15	TCEP	natural abundance	0.5 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, unlabeled 1 mM CARD9_2-142, 2 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
16	CARD9_2-142	[U-13C; U-15N]	1 mM
17	Zinc	natural abundance	2 mM
18	unlabeled CARD9_2-142	natural abundance	1 mM
19	HEPES	natural abundance	50 mM
20	NaCl	natural abundance	300 mM
21	TCEP	natural abundance	0.5 mM

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 14 mg/mL filamentous Pf1 bacteriophage, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
22	CARD9_2-142	[U-13C; U-15N]	1 mM
23	Zinc	natural abundance	1 mM
24	filamentous Pf1 bacteriophage	natural abundance	14 mg/mL
25	HEPES	natural abundance	50 mM
26	NaCl	natural abundance	900 mM
27	TCEP	natural abundance	0.5 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.52 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.52 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.49 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6N2M, Strand ID: A, B Detail

Release date

2018-12-09

Citation

Structures of autoinhibited and polymerized forms of CARD9 reveal mechanisms of CARD9 and CARD11 activation
Holliday, M.J., Witt, A., Rodriguez Gama, A., Walters, B.T., Arthur, C.P., Halfmann, R., Rohou, A., Dueber, E.C., Fairbrother, W.J.
Nat. Commun. (2019), 10, 3070-3070, PubMed 31296852 , DOI 10.1038/s41467-019-10953-z , Abstract

Related entities 1. Caspase recruitment domain-containing protein 9, entity 1, : 3 : 22 entities Detail

Interaction partners 1. Caspase recruitment domain-containing protein 9, entity 1, : 75 interactors Detail

More details for 75 interactors identified by 8 citations

Experiments performed 20 experiments Detail

1 2D 1H-15N TROSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N; U-2H] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	CARD9_2-142	[U-13C; U-15N; U-2H]	1 mM
12	Zinc	natural abundance	1 mM
13	HEPES	natural abundance	50 mM
14	NaCl	natural abundance	300 mM
15	TCEP	natural abundance	0.5 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 100% D2O

#	Name	Isotope labeling	Concentration
6	CARD9_2-142	[U-13C; U-15N]	1 mM
7	Zinc	natural abundance	1 mM
8	HEPES	natural abundance	50 mM
9	NaCl	natural abundance	300 mM
10	TCEP	natural abundance	0.5 mM

3 2D 1H-13C TROSY aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 100% D2O

#	Name	Isotope labeling	Concentration
6	CARD9_2-142	[U-13C; U-15N]	1 mM
7	Zinc	natural abundance	1 mM
8	HEPES	natural abundance	50 mM
9	NaCl	natural abundance	300 mM
10	TCEP	natural abundance	0.5 mM

4 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N; U-2H] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	CARD9_2-142	[U-13C; U-15N; U-2H]	1 mM
12	Zinc	natural abundance	1 mM
13	HEPES	natural abundance	50 mM
14	NaCl	natural abundance	300 mM
15	TCEP	natural abundance	0.5 mM

5 3D HNCB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N; U-2H] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	CARD9_2-142	[U-13C; U-15N; U-2H]	1 mM
12	Zinc	natural abundance	1 mM
13	HEPES	natural abundance	50 mM
14	NaCl	natural abundance	300 mM
15	TCEP	natural abundance	0.5 mM

6 3D (H)CC(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	CARD9_2-142	[U-13C; U-15N]	1 mM
2	Zinc	natural abundance	1 mM
3	HEPES	natural abundance	50 mM
4	NaCl	natural abundance	300 mM
5	TCEP	natural abundance	0.5 mM

7 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	CARD9_2-142	[U-13C; U-15N]	1 mM
2	Zinc	natural abundance	1 mM
3	HEPES	natural abundance	50 mM
4	NaCl	natural abundance	300 mM
5	TCEP	natural abundance	0.5 mM

8 3D HN(CA)CO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N; U-2H] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	CARD9_2-142	[U-13C; U-15N; U-2H]	1 mM
12	Zinc	natural abundance	1 mM
13	HEPES	natural abundance	50 mM
14	NaCl	natural abundance	300 mM
15	TCEP	natural abundance	0.5 mM

9 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N; U-2H] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	CARD9_2-142	[U-13C; U-15N; U-2H]	1 mM
12	Zinc	natural abundance	1 mM
13	HEPES	natural abundance	50 mM
14	NaCl	natural abundance	300 mM
15	TCEP	natural abundance	0.5 mM

10 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N; U-2H] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	CARD9_2-142	[U-13C; U-15N; U-2H]	1 mM
12	Zinc	natural abundance	1 mM
13	HEPES	natural abundance	50 mM
14	NaCl	natural abundance	300 mM
15	TCEP	natural abundance	0.5 mM

11 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	CARD9_2-142	[U-13C; U-15N]	1 mM
2	Zinc	natural abundance	1 mM
3	HEPES	natural abundance	50 mM
4	NaCl	natural abundance	300 mM
5	TCEP	natural abundance	0.5 mM

12 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N; U-2H] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	CARD9_2-142	[U-13C; U-15N; U-2H]	1 mM
12	Zinc	natural abundance	1 mM
13	HEPES	natural abundance	50 mM
14	NaCl	natural abundance	300 mM
15	TCEP	natural abundance	0.5 mM

13 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 100% D2O

#	Name	Isotope labeling	Concentration
6	CARD9_2-142	[U-13C; U-15N]	1 mM
7	Zinc	natural abundance	1 mM
8	HEPES	natural abundance	50 mM
9	NaCl	natural abundance	300 mM
10	TCEP	natural abundance	0.5 mM

14 3D HCCH-COSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 100% D2O

#	Name	Isotope labeling	Concentration
6	CARD9_2-142	[U-13C; U-15N]	1 mM
7	Zinc	natural abundance	1 mM
8	HEPES	natural abundance	50 mM
9	NaCl	natural abundance	300 mM
10	TCEP	natural abundance	0.5 mM

15 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	CARD9_2-142	[U-13C; U-15N]	1 mM
2	Zinc	natural abundance	1 mM
3	HEPES	natural abundance	50 mM
4	NaCl	natural abundance	300 mM
5	TCEP	natural abundance	0.5 mM

16 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 100% D2O

#	Name	Isotope labeling	Concentration
6	CARD9_2-142	[U-13C; U-15N]	1 mM
7	Zinc	natural abundance	1 mM
8	HEPES	natural abundance	50 mM
9	NaCl	natural abundance	300 mM
10	TCEP	natural abundance	0.5 mM

17 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 100% D2O

#	Name	Isotope labeling	Concentration
6	CARD9_2-142	[U-13C; U-15N]	1 mM
7	Zinc	natural abundance	1 mM
8	HEPES	natural abundance	50 mM
9	NaCl	natural abundance	300 mM
10	TCEP	natural abundance	0.5 mM

18 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	CARD9_2-142	[U-13C; U-15N]	1 mM
2	Zinc	natural abundance	1 mM
3	HEPES	natural abundance	50 mM
4	NaCl	natural abundance	300 mM
5	TCEP	natural abundance	0.5 mM

19 3D 1H-13C interNOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, unlabeled 1 mM CARD9_2-142, 2 mM Zinc, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
16	CARD9_2-142	[U-13C; U-15N]	1 mM
17	Zinc	natural abundance	2 mM
18	unlabeled CARD9_2-142	natural abundance	1 mM
19	HEPES	natural abundance	50 mM
20	NaCl	natural abundance	300 mM
21	TCEP	natural abundance	0.5 mM

20 2D IPAP 1H-15N TROSY

Instrument

Bruker Avance - 800 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 14 mg/mL filamentous Pf1 bacteriophage, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
22	CARD9_2-142	[U-13C; U-15N]	1 mM
23	Zinc	natural abundance	1 mM
24	filamentous Pf1 bacteriophage	natural abundance	14 mg/mL
25	HEPES	natural abundance	50 mM
26	NaCl	natural abundance	900 mM
27	TCEP	natural abundance	0.5 mM

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30543_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:3:ASP:OD1	3:1:ZN:ZN	unknown	unknown	n/a
1:3:ASP:OD2	3:1:ZN:ZN	unknown	unknown	n/a
1:10:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a
1:73:HIS:ND1	3:1:ZN:ZN	unknown	unknown	n/a
2:3:ASP:OD1	4:1:ZN:ZN	unknown	unknown	n/a
2:3:ASP:OD2	4:1:ZN:ZN	unknown	unknown	n/a
2:10:CYS:SG	4:1:ZN:ZN	unknown	unknown	n/a
2:73:HIS:ND1	4:1:ZN:ZN	unknown	unknown	n/a

Non-standard residues

None

Content subtype: bmr30543_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	694	98.6 (chain: 1, length: 142)
2	Assigned chemical shifts	assigned_chemical_shifts_2	Warning	1763	100.0 (chain: 1, length: 142)
1	Chemical shift references	chem_shift_reference_1	OK	3	No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 142, Sequence coverage: 98.6%
- Total number of assignments
  - ¹³C chemical shifts: 406
  - ¹H chemical shifts: 158
  - ¹⁵N chemical shifts: 130
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: assigned_chemical_shifts_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 142, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 991
  - ¹³C chemical shifts: 632
  - ¹⁵N chemical shifts: 140
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	658	406	61.7
¹H chemical shifts	876	154	17.6
¹⁵N chemical shifts	154	130	84.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	284	269	94.7
¹H chemical shifts	286	130	45.5
¹⁵N chemical shifts	136	129	94.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	374	137	36.6
¹H chemical shifts	590	24	4.1
¹⁵N chemical shifts	18	1	5.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	93	4	4.3
¹H chemical shifts	93	2	2.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	46	14	30.4
¹H chemical shifts	47	19	40.4
¹⁵N chemical shifts	1	1	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	876	805	91.9
¹³C chemical shifts	658	632	96.0
¹⁵N chemical shifts	154	140	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	286	269	94.1
¹³C chemical shifts	284	274	96.5
¹⁵N chemical shifts	136	129	94.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	590	536	90.8
¹³C chemical shifts	374	358	95.7
¹⁵N chemical shifts	18	11	61.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	93	93	100.0
¹³C chemical shifts	93	93	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	47	47	100.0
¹³C chemical shifts	46	46	100.0
¹⁵N chemical shifts	1	1	100.0

Keywords SIGNALING PROTEIN, autoinhibition, coiled-coil, innate immunity

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Found 1 Document (1.758 seconds)

BMRB: 30543

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Caspase recruitment domain-containing protein 9, entity 1, : 3 : 22 entities Detail

Interaction partners 1. Caspase recruitment domain-containing protein 9, entity 1, : 75 interactors Detail

Experiments performed 20 experiments Detail

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