BMRB: 18351

Solution structure of the Class II hydrophobin NC2

Authors

Ren, Q., Kwan, A.H., Sunde, M.

Assembly

MS3

Entity

1. MS3 (polymer, Thiol state: all disulfide bound), 80 monomers, 8197.338 Da Detail

SPAAMERQVP YTPCSGLYGT AQCCATDVLG VADLDCANPP ATLANATHFE STCAAIGQRA RCCVLPILGQ DILCQTPAGL

Formula weight

8197.338 Da

Entity Connection

disulfide 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS14:SG	1:CYS62:SG
2	disulfide	sing	1:CYS23:SG	1:CYS53:SG
3	disulfide	sing	1:CYS24:SG	1:CYS36:SG
4	disulfide	sing	1:CYS63:SG	1:CYS74:SG

Source organism

Neurospora crassa

Exptl. method

solution NMR

Refine. method

SOLUTION STRUCTURE

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, spectral_peak_list

Chem. Shift Complete1

Sequence coverage: 98.8 %, Completeness: 94.8 %, Completeness (bb): 97.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.8 % (783 of 826)	94.8 % (398 of 420)	94.2 % (307 of 326)	97.5 % (78 of 80)
Backbone	97.0 % (452 of 466)	96.2 % (153 of 159)	97.4 % (228 of 234)	97.3 % (71 of 73)
Sidechain	93.1 % (404 of 434)	94.3 % (246 of 261)	91.0 % (151 of 166)	100.0 % (7 of 7)
Aromatic	56.7 % (17 of 30)	80.0 % (12 of 15)	33.3 % (5 of 15)
Methyl	97.0 % (97 of 100)	96.0 % (48 of 50)	98.0 % (49 of 50)

1. nc2

SPAAMERQVP YTPCSGLYGT AQCCATDVLG VADLDCANPP ATLANATHFE STCAAIGQRA RCCVLPILGQ DILCQTPAGL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 283.000 K, pH 6.000, Details 15N13C NC2 in 20 mM phosphate, pH 6.0, 300 ul

#	Name	Isotope labeling	Type	Concentration
1	nc2	[U-100% 13C; U-100% 15N]		0.3 mM
2	Sodium phosphate	natural abundance		20.0 mM
3	DSS	natural abundance		0.3 mM

Sample #2

Solvent system 100% D2O, Temperature 283.000 K, pH 6.000, Details 15N13C NC2 in 20 mM phosphate, ph 6.0, 100% D2O, 300 ul

#	Name	Isotope labeling	Type	Concentration
4	nc2	[U-100% 13C; U-100% 15N]		0.3 mM
5	Sodium phosphate	natural abundance		20.0 mM
6	DSS	natural abundance		0.3 mM

Sample #3

Solvent system 90% H2O/10% D2O, Temperature 283.000 K, pH 6.000, Details 15N NC2 in 20 mM phosphate, pH 6.0, 350 ul

#	Name	Isotope labeling	Type	Concentration
7	nc2	[U-100% 15N]		0.3 mM
8	DSS	natural abundance		0.3 mM
9	Sodium phosphate	natural abundance		20.0 mM

Sample #4

Solvent system 95% H2O/5% D2O, Temperature 283.000 K, pH 6.000, Details in 20 mM phosphate, pH 6, 300 ul

#	Name	Isotope labeling	Type	Concentration
10	nc2	natural abundance		0.3 mM
11	DSS	natural abundance		0.3 mM
12	Sodium phosphate	natural abundance		20.0 mM

Sample #5

Solvent system 90% H2O/10% D2O, Temperature 283.000 K, pH 6.000, Details 15N NC2 in 20 mM phosphate, pH 6.0, 100 ul

#	Name	Isotope labeling	Type	Concentration
13	nc2	[U-100% 13C; U-100% 15N]		0.35 mM
14	Sodium phosphate	natural abundance		20.00 mM
15	DSS	natural abundance		0.30 mM

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Chem. Shift Complete2

Sequence coverage: 26.2 %, Completeness: 55.8 %, Completeness (bb): 58.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	55.8 % (921 of 1652)	56.4 % (474 of 840)	54.0 % (352 of 652)	59.4 % (95 of 160)
Backbone	58.6 % (546 of 932)	61.3 % (195 of 318)	56.4 % (264 of 468)	59.6 % (87 of 146)
Sidechain	52.6 % (457 of 868)	53.6 % (280 of 522)	50.9 % (169 of 332)	57.1 % (8 of 14)
Aromatic	28.3 % (17 of 60)	40.0 % (12 of 30)	16.7 % (5 of 30)
Methyl	56.0 % (112 of 200)	57.0 % (57 of 100)	55.0 % (55 of 100)

1. nc2

SPAAMERQVP YTPCSGLYGT AQCCATDVLG VADLDCANPP ATLANATHFE STCAAIGQRA RCCVLPILGQ DILCQTPAGL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 283.000 K, pH 6.000, Details 15N13C NC2 in 20 mM phosphate, pH 6.0, 300 ul

#	Name	Isotope labeling	Type	Concentration
1	nc2	[U-100% 13C; U-100% 15N]		0.3 mM
2	Sodium phosphate	natural abundance		20.0 mM
3	DSS	natural abundance		0.3 mM

Sample #2

Solvent system 100% D2O, Temperature 283.000 K, pH 6.000, Details 15N13C NC2 in 20 mM phosphate, ph 6.0, 100% D2O, 300 ul

#	Name	Isotope labeling	Type	Concentration
4	nc2	[U-100% 13C; U-100% 15N]		0.3 mM
5	Sodium phosphate	natural abundance		20.0 mM
6	DSS	natural abundance		0.3 mM

Sample #3

Solvent system 90% H2O/10% D2O, Temperature 283.000 K, pH 6.000, Details 15N NC2 in 20 mM phosphate, pH 6.0, 350 ul

#	Name	Isotope labeling	Type	Concentration
7	nc2	[U-100% 15N]		0.3 mM
8	DSS	natural abundance		0.3 mM
9	Sodium phosphate	natural abundance		20.0 mM

Sample #4

Solvent system 95% H2O/5% D2O, Temperature 283.000 K, pH 6.000, Details in 20 mM phosphate, pH 6, 300 ul

#	Name	Isotope labeling	Type	Concentration
10	nc2	natural abundance		0.3 mM
11	DSS	natural abundance		0.3 mM
12	Sodium phosphate	natural abundance		20.0 mM

Sample #5

Solvent system 90% H2O/10% D2O, Temperature 283.000 K, pH 6.000, Details 15N NC2 in 20 mM phosphate, pH 6.0, 100 ul

#	Name	Isotope labeling	Type	Concentration
13	nc2	[U-100% 13C; U-100% 15N]		0.35 mM
14	Sodium phosphate	natural abundance		20.00 mM
15	DSS	natural abundance		0.30 mM

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LACS Plot; CA

Referencing offset: -0.09 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.09 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.13 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.18 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 4AOG, Strand ID: A Detail

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Heteronucl. T₁

71 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 800.1498 MHz, Pressure 1.000 atm, Temperature 298.000 K, pH 6.000 Detail

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Pressure 1.000 atm, Temperature 298.000 K, pH 6.000

Experiment name T1:9 (H[n[T1(N)]]), T1:2 (H[n[T1(N)]]), T1:5 (H[n[T1(N)]]), T1:6 (H[n[T1(N)]]), T1:1 (H[n[T1(N)]]), T1:4 (H[n[T1(N)]]), T1:7 (H[n[T1(N)]]), T1:12 (H[n[T1(N)]]), T1:10 (H[n[T1(N)]]), T1:11 (H[n[T1(N)]]), T1:3 (H[n[T1(N)]]), T1:8 (H[n[T1(N)]])

Heteronucl. T₂

71 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 800.1498 MHz, Pressure 1.000 atm, Temperature 298.000 K, pH 6.000 Detail

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Pressure 1.000 atm, Temperature 298.000 K, pH 6.000

Experiment name T2:15 (H[n[T2(N)]]), T2:8 (H[n[T2(N)]]), T2:10 (H[n[T2(N)]]), T2:2 (H[n[T2(N)]]), T2:1 (H[n[T2(N)]]), T2:7 (H[n[T2(N)]]), T2:9 (H[n[T2(N)]]), T2:12 (H[n[T2(N)]]), T2:5 (H[n[T2(N)]]), T2:11 (H[n[T2(N)]]), T2:6 (H[n[T2(N)]]), T2:14 (H[n[T2(N)]]), T2:3 (H[n[T2(N)]]), T2:13 (H[n[T2(N)]]), T2:4 (H[n[T2(N)]])

Heteronucl. NOE

71 NOE values in 1 lists
Value type peak height, Field strength (¹H) 800 MHz, Temperature 283.000 K, pH 6.000 Detail

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Temperature 283.000 K, pH 6.000

Experiment name htNOE 2 (H[n[Trho(N)]]), htNOE 1 (H[n[Trho(N)]])

Release date

2013-06-03

Citation

Solution structure and interface-driven self-assembly of NC2, a new member of the Class II hydrophobin proteins
Ren, Q., Kwan, A.H., Sunde, M.
Proteins (2014), 82, 990-1003, PubMed 24218020 , DOI 10.1002/prot.24473 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. MS3, : 1 : 14 entities Detail

Experiments performed 38 experiments Detail