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Found 1 Document (1.717 seconds)

BMRB: 16472

2KNO

NMR Solution Structure of SH2 Domain of the Human Tensin Like C1 Domain Containing Phosphatase (TENC1)

Authors

Chen, L., Feng, R., Liu, C., Zhu, G.

Assembly

TENC1

Entity

1. TENC1 (polymer, Thiol state: unknown), 131 monomers, 14377.32 Da Detail

MHHHHHHSSG LVPRGSDTSK FWYKPHLSRD QAIALLKDKD PGAFLIRDSH SFQGAYGLAL KVATPPPSAQ PWKGDPVEQL VRHFLIETGP KGVKIKGCPS EPYFGSLSAL VSQHSISPIS LPCCLRIPSK D

Formula weight

14377.32 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

water refine

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.4 %, Completeness: 74.5 %, Completeness (bb): 74.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.5 % (1135 of 1524)	84.1 % (670 of 797)	59.2 % (357 of 603)	87.1 % (108 of 124)
Backbone	74.7 % (566 of 758)	89.9 % (232 of 258)	59.5 % (228 of 383)	90.6 % (106 of 117)
Sidechain	76.3 % (677 of 887)	81.3 % (438 of 539)	69.5 % (237 of 341)	28.6 % (2 of 7)
Aromatic	31.2 % (43 of 138)	59.4 % (41 of 69)	0.0 % (0 of 67)	100.0 % (2 of 2)
Methyl	96.8 % (122 of 126)	96.8 % (61 of 63)	96.8 % (61 of 63)

1. SH2 Domain

MHHHHHHSSG LVPRGSDTSK FWYKPHLSRD QAIALLKDKD PGAFLIRDSH SFQGAYGLAL KVATPPPSAQ PWKGDPVEQL VRHFLIETGP KGVKIKGCPS EPYFGSLSAL VSQHSISPIS LPCCLRIPSK D

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	SH2	[U-100% 13C]	1 mM
2	sodium acetate	natural abundance	100 mM
3	sodium chloride	natural abundance	100 mM
4	D2O	natural abundance	100 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
5	SH2	[U-100% 15N]	1 mM
6	sodium acetate	natural abundance	100 mM
7	sodium chloride	natural abundance	100 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	SH2	[U-100% 13C; U-100% 15N]	1 mM
11	sodium acetate	natural abundance	100 mM
12	sodium chloride	natural abundance	100 mM
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
15	SH2	natural abundance	1 mM
16	sodium acetate	natural abundance	100 mM
17	sodium chloride	natural abundance	100 mM
18	D2O	natural abundance	100 %

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: 0.03 ppm, Outliers: 3 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: 0.03 ppm, Outliers: 3 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: -0.03 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2010-08-25

Citation

1H, 15N and 13C chemical shift assignments of the SH2 domain of human tensin2 (TENC1)
Chen, L., Liu, C., Rui, F., Zhu, G.
Biomol. NMR Assign. (2011), 5, 211-214, PubMed 21461930 , DOI 10.1007/s12104-011-9302-9 , Abstract

Related entities 1. TENC1, : 1 : 3 : 105 entities Detail

Interaction partners 1. TENC1, : 35 interactors Detail

More details for 35 interactors identified by 10 citations

Experiments performed 9 experiments Detail

1 3D 1H-13C NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	SH2	[U-100% 13C]	1 mM
2	sodium acetate	natural abundance	100 mM
3	sodium chloride	natural abundance	100 mM
4	D2O	natural abundance	100 %

2 3D 1H-15N NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
5	SH2	[U-100% 15N]	1 mM
6	sodium acetate	natural abundance	100 mM
7	sodium chloride	natural abundance	100 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

3 2D 1H-1H NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
15	SH2	natural abundance	1 mM
16	sodium acetate	natural abundance	100 mM
17	sodium chloride	natural abundance	100 mM
18	D2O	natural abundance	100 %

4 3D HNCO

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	SH2	[U-100% 13C; U-100% 15N]	1 mM
11	sodium acetate	natural abundance	100 mM
12	sodium chloride	natural abundance	100 mM
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

5 3D HNCACB

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	SH2	[U-100% 13C; U-100% 15N]	1 mM
11	sodium acetate	natural abundance	100 mM
12	sodium chloride	natural abundance	100 mM
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

6 3D CBCA(CO)NH

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	SH2	[U-100% 13C; U-100% 15N]	1 mM
11	sodium acetate	natural abundance	100 mM
12	sodium chloride	natural abundance	100 mM
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

7 3D HCCH-COSY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	SH2	[U-100% 13C]	1 mM
2	sodium acetate	natural abundance	100 mM
3	sodium chloride	natural abundance	100 mM
4	D2O	natural abundance	100 %

8 3D HCCH-TOCSY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	SH2	[U-100% 13C]	1 mM
2	sodium acetate	natural abundance	100 mM
3	sodium chloride	natural abundance	100 mM
4	D2O	natural abundance	100 %

9 2D 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
5	SH2	[U-100% 15N]	1 mM
6	sodium acetate	natural abundance	100 mM
7	sodium chloride	natural abundance	100 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16472_2kno.nef
Input source #2: Coordindates	2kno.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MHHHHHHSSGLVPRGSDTSKFWYKPHLSRDQAIALLKDKDPGAFLIRDSHSFQGAYGLALKVATPPPSAQPWKGDPVEQLVRHFLIETGPKGVKIKGCPS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MHHHHHHSSGLVPRGSDTSKFWYKPHLSRDQAIALLKDKDPGAFLIRDSHSFQGAYGLALKVATPPPSAQPWKGDPVEQLVRHFLIETGPKGVKIKGCPS

-------110-------120-------130-
EPYFGSLSALVSQHSISPISLPCCLRIPSKD
|||||||||||||||||||||||||||||||
EPYFGSLSALVSQHSISPISLPCCLRIPSKD

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	131	0	0	100.0

Content subtype: combined_16472_2kno.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1095		89.3 (chain: A, length: 131)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	2921 (1)	noe	88.5 (chain: A, length: 131)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	104 (104)	.	62.6 (chain: A, length: 131)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 131, Sequence coverage: 89.3%
- Total number of assignments
  - ¹H chemical shifts: 655
  - ¹³C chemical shifts: 337
  - ¹⁵N chemical shifts: 103
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- 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: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	797	655	82.2
¹³C chemical shifts	603	337	55.9
¹⁵N chemical shifts	129	103	79.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	258	226	87.6
¹³C chemical shifts	262	106	40.5
¹⁵N chemical shifts	117	101	86.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	539	429	79.6
¹³C chemical shifts	341	231	67.7
¹⁵N chemical shifts	12	2	16.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	64	59	92.2
¹³C chemical shifts	64	59	92.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	69	41	59.4
¹³C chemical shifts	67	0	0.0
¹⁵N chemical shifts	2	2	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 131, Sequence coverage: 88.5%
- Total number of restraints: 2921
- Weight of restraints: 1.0 (2921)
- Potential type of restraints: square-well-parabolic (2921)
- Range of distance target values: 1.25, 2.75 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 131, Sequence coverage: 62.6%
- Total number of restraints: 104
- Total number of restraints per polymer type: 104
- Weight of restraints: 1.0 (104)
- Potential type of restraints: square-well-parabolic (104)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords NMR, SH2 domain, solution structure, TENC1, tensin2

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Found 1 Document (1.717 seconds)

BMRB: 16472

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. TENC1, : 1 : 3 : 105 entities Detail

Interaction partners 1. TENC1, : 35 interactors Detail

Experiments performed 9 experiments Detail

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NMR combined restraints 4 contents Detail