BMRBj - BMREntryMaster

Found 1 Document (0.476 seconds)

BMRB: 16444

2KN4

NMR Chemical Shifts of GB1-SC35

Authors

Clayton, J.C., Goult, B.T., Lian, L.

Assembly

SC35

Entity

1. SC35 (polymer, Thiol state: all free), 158 monomers, 18100.82 Da Detail

MQYKLILNGK TLKGETTTEA VDAATAEKVF KQYANDNGVD GEWTYDDATK TFTVTEGSHH HHHHMDVEGM TSLKVDNLTY RTSPDTLRRV FEKYGRVGDV YIPRDRYTKE SRGFAFVRFH DKRDAEDAMD AMDGAVLDGR ELRVQMARYG RPPDSHHS

Formula weight

18100.82 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.8 %, Completeness: 94.3 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.3 % (1695 of 1798)	93.7 % (872 of 931)	94.8 % (668 of 705)	95.7 % (155 of 162)
Backbone	95.5 % (898 of 940)	95.4 % (309 of 324)	95.7 % (442 of 462)	95.5 % (147 of 154)
Sidechain	93.4 % (938 of 1004)	92.8 % (563 of 607)	94.3 % (367 of 389)	100.0 % (8 of 8)
Aromatic	82.6 % (142 of 172)	82.6 % (71 of 86)	82.4 % (70 of 85)	100.0 % (1 of 1)
Methyl	100.0 % (142 of 142)	100.0 % (71 of 71)	100.0 % (71 of 71)

1. SC35

MQYKLILNGK TLKGETTTEA VDAATAEKVF KQYANDNGVD GEWTYDDATK TFTVTEGSHH HHHHMDVEGM TSLKVDNLTY RTSPDTLRRV FEKYGRVGDV YIPRDRYTKE SRGFAFVRFH DKRDAEDAMD AMDGAVLDGR ELRVQMARYG RPPDSHHS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
5	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
6	D2O	natural abundance	100 %
7	NaCl	natural abundance	100 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
8	SC35	[U-100% 15N]	0.5 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %
11	NaCl	natural abundance	100 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
12	SC35	natural abundance	0.5 mM
13	D2O	natural abundance	100 %
14	NaCl	natural abundance	100 mM

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
15	SC35	natural abundance	0.5 mM
16	H2O	natural abundance	90 %
17	D2O	natural abundance	10 %
18	NaCl	natural abundance	100 mM

LACS Plot; CA

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

Referencing offset: -0.27 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.27 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.02 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.97 ppm, Outliers: 4 Detail

Release date

2010-10-06

Citation

The 1H, 13C and 15N backbone and side-chain assignment of the RRM domain of SC35, a regulator of pre-mRNA splicing
Clayton, J.C., Phelan, M., Goult, B.T., Hautbergue, G.M., Wilson, S.A., Lian, L.
Biomol. NMR Assign. (2011), 5, 7-10, PubMed 20703835 , DOI 10.1007/s12104-010-9254-5 , Abstract

Related entities 1. SC35, : 1 : 4 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz with cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
5	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
6	D2O	natural abundance	100 %
7	NaCl	natural abundance	100 mM

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

4 3D HNCO

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

5 3D HNCA

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

6 3D HNCACB

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

8 3D HN(CO)CA

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

9 3D HBHANH

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

10 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz with cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
5	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
6	D2O	natural abundance	100 %
7	NaCl	natural abundance	100 mM

11 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz with cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
12	SC35	natural abundance	0.5 mM
13	D2O	natural abundance	100 %
14	NaCl	natural abundance	100 mM

12 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz with cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
12	SC35	natural abundance	0.5 mM
13	D2O	natural abundance	100 %
14	NaCl	natural abundance	100 mM

13 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
8	SC35	[U-100% 15N]	0.5 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %
11	NaCl	natural abundance	100 mM

14 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

15 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
5	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
6	D2O	natural abundance	100 %
7	NaCl	natural abundance	100 mM

16 3D HN(CA)CO

Instrument

Bruker Avance - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SC35	[U-100% 13C; U-100% 15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	100 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16444_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	None
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)

None

Non-standard residues

None

Content subtype: bmr16444_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1851		96.8 (chain: 1, length: 158)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 158, Sequence coverage: 96.8%
- Total number of assignments
  - ¹H chemical shifts: 1028
  - ¹³C chemical shifts: 668
  - ¹⁵N chemical shifts: 155
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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 (%)
¹H chemical shifts	77	77	100.0
¹³C chemical shifts	77	77	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	931	874	93.9
¹³C chemical shifts	705	668	94.8
¹⁵N chemical shifts	175	155	88.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	324	311	96.0
¹³C chemical shifts	316	302	95.6
¹⁵N chemical shifts	154	147	95.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	607	563	92.8
¹³C chemical shifts	389	366	94.1
¹⁵N chemical shifts	21	8	38.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	86	71	82.6
¹³C chemical shifts	85	70	82.4
¹⁵N chemical shifts	1	1	100.0

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Found 1 Document (0.476 seconds)

BMRB: 16444

Sample #1

Sample #2

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Sample #4

Sample #5

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. SC35, : 1 : 4 entities Detail

Experiments performed 16 experiments Detail

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Chemical shift validation 3 contents Detail