BMRBj - BMREntryMaster

Found 1 Document (1.867 seconds)

BMRB: 17192

2L3G

Solution NMR Structure of CH domain of Rho guanine nucleotide exchange factor 7 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4495E

Authors

Liu, G., Xiao, R., Janjua, H., Acton, T.B., Ciccosanti, C., Shastry, R., Everett, J., Montelione, G.T.

Assembly

HR4495E

Entity

1. HR4495E (polymer, Thiol state: all free), 126 monomers, 14050.85 Da Detail

MGHHHHHHSH MNSAEQTVTW LITLGVLESP KKTISDPEGF LQASLKDGVV LCRLLERLLP GTIEKVYPEP RSESECLSNI REFLRGCGAS LRLETFDAND LYQGQNFNKV LSSLVTLNKV TADIGL

Formula weight

14050.85 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

distance geometry, simulated annealing, molecular dynamics, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.4 %, Completeness: 92.0 %, Completeness (bb): 91.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.0 % (1338 of 1455)	92.6 % (697 of 753)	91.1 % (519 of 570)	92.4 % (122 of 132)
Backbone	91.8 % (685 of 746)	92.2 % (236 of 256)	91.6 % (338 of 369)	91.7 % (111 of 121)
Sidechain	92.3 % (762 of 826)	92.8 % (461 of 497)	91.2 % (290 of 318)	100.0 % (11 of 11)
Aromatic	64.6 % (62 of 96)	66.7 % (32 of 48)	61.7 % (29 of 47)	100.0 % (1 of 1)
Methyl	100.0 % (154 of 154)	100.0 % (77 of 77)	100.0 % (77 of 77)

1. HR4495E

MGHHHHHHSH MNSAEQTVTW LITLGVLESP KKTISDPEGF LQASLKDGVV LCRLLERLLP GTIEKVYPEP RSESECLSNI REFLRGCGAS LRLETFDAND LYQGQNFNKV LSSLVTLNKV TADIGL

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.866 mM [U-100% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4495E	[U-100% 13C; U-100% 15N]	0.87 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.846 mM [U-15% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
4	HR4495E	[U-5% 13C; U-100% 15N]	0.85 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

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: 0.1 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: 0.1 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: 0.08 ppm, Outliers: 4 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: -0.06 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L3G, Strand ID: A Detail

Release date

2010-10-12

Related entities 1. HR4495E, : 1 : 59 entities Detail

Interaction partners 1. HR4495E, : 20 interactors Detail

More details for 20 interactors identified by 13 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.866 mM [U-100% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4495E	[U-100% 13C; U-100% 15N]	0.87 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

2 2D 1H-13C HSQC ct 28

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.846 mM [U-15% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
4	HR4495E	[U-5% 13C; U-100% 15N]	0.85 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

3 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.866 mM [U-100% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4495E	[U-100% 13C; U-100% 15N]	0.87 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.866 mM [U-100% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4495E	[U-100% 13C; U-100% 15N]	0.87 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

5 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.866 mM [U-100% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4495E	[U-100% 13C; U-100% 15N]	0.87 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

6 3D 1H-13C arom NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.866 mM [U-100% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4495E	[U-100% 13C; U-100% 15N]	0.87 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

7 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.866 mM [U-100% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4495E	[U-100% 13C; U-100% 15N]	0.87 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

8 2D 1H-13C HSQC ct 42

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.846 mM [U-15% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
4	HR4495E	[U-5% 13C; U-100% 15N]	0.85 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

9 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.866 mM [U-100% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4495E	[U-100% 13C; U-100% 15N]	0.87 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

10 3D CC(CO)NH TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.866 mM [U-100% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4495E	[U-100% 13C; U-100% 15N]	0.87 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

11 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.866 mM [U-100% 13C; U-100% 15N] HR4495E, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	HR4495E	[U-100% 13C; U-100% 15N]	0.87 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr17192_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: bmr17192_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1502		94.4 (chain: 1, length: 126)
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: 126, Sequence coverage: 94.4%
- Total number of assignments
  - ¹³C chemical shifts: 518
  - ¹H chemical shifts: 856
  - ¹⁵N chemical shifts: 128
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
17	THR	HG1	5.033
52	CYS	HG	2.852
87	CYS	HG	1.315

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	570	518	90.9
¹H chemical shifts	753	699	92.8
¹⁵N chemical shifts	138	128	92.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	252	229	90.9
¹H chemical shifts	256	238	93.0
¹⁵N chemical shifts	121	111	91.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	318	289	90.9
¹H chemical shifts	497	461	92.8
¹⁵N chemical shifts	17	17	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	79	77	97.5
¹H chemical shifts	79	77	97.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	47	29	61.7
¹H chemical shifts	48	32	66.7
¹⁵N chemical shifts	1	1	100.0

Keywords NESG, NMR, PSI, Rho guanine nucleotide exchange factor 7, calponin-homology domain., Northeast Structural Genomics Consortium (NESG), PSI-2, Protein NMR, Protein Structure Initiative, Structural Genomics, Target HR4495E

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Found 1 Document (1.867 seconds)

BMRB: 17192

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HR4495E, : 1 : 59 entities Detail

Interaction partners 1. HR4495E, : 20 interactors Detail

Experiments performed 11 experiments Detail

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Chemical shift validation 3 contents Detail