Solution NMR Structure of Stress-induced-phosphoprotein 1 STI1 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4403E
MGHHHHHHSH MNPDLALMVK NKGNECFQKG DYPQAMKHYT EAIKRNPKDA KLYSNRAACY TKLLEFQLAL KDCEECIQLE PTFIKGYTRK AAALEAMKDY TKAMDVYQKA LDLDSSCKEA ADGYQRCMMA QYN
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 94.6 % (1486 of 1570) | 95.0 % (783 of 824) | 93.0 % (562 of 604) | 99.3 % (141 of 142) |
Backbone | 96.7 % (764 of 790) | 96.3 % (257 of 267) | 96.2 % (379 of 394) | 99.2 % (128 of 129) |
Sidechain | 93.2 % (846 of 908) | 94.4 % (526 of 557) | 90.8 % (307 of 338) | 100.0 % (13 of 13) |
Aromatic | 71.6 % (96 of 134) | 77.6 % (52 of 67) | 65.7 % (44 of 67) | |
Methyl | 99.1 % (105 of 106) | 98.1 % (52 of 53) | 100.0 % (53 of 53) |
1. HR4403E
MGHHHHHHSH MNPDLALMVK NKGNECFQKG DYPQAMKHYT EAIKRNPKDA KLYSNRAACY TKLLEFQLAL KDCEECIQLE PTFIKGYTRK AAALEAMKDY TKAMDVYQKA LDLDSSCKEA ADGYQRCMMA QYNSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4403E | [U-100% 13C; U-100% 15N] | 0.807 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | HR4403E | [U-5% 13C; U-100% 15N] | 0.763 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.4 mM [U-100% 13C; U-100% 15N] HR4403E, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | HR4403E | [U-100% 13C; U-100% 15N] | 0.4 mM | |
8 | D2O | natural abundance | 100 % |
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 |
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 |
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 |
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 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4403E | [U-100% 13C; U-100% 15N] | 0.807 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4403E | [U-100% 13C; U-100% 15N] | 0.807 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4403E | [U-100% 13C; U-100% 15N] | 0.807 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4403E | [U-100% 13C; U-100% 15N] | 0.807 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4403E | [U-100% 13C; U-100% 15N] | 0.807 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4403E | [U-100% 13C; U-100% 15N] | 0.807 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4403E | [U-100% 13C; U-100% 15N] | 0.807 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | HR4403E | [U-5% 13C; U-100% 15N] | 0.763 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.4 mM [U-100% 13C; U-100% 15N] HR4403E, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | HR4403E | [U-100% 13C; U-100% 15N] | 0.4 mM | |
8 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4403E | [U-100% 13C; U-100% 15N] | 0.807 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 4.5, Details 0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4403E | [U-100% 13C; U-100% 15N] | 0.807 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_18166_2lni.nef |
Input source #2: Coordindates | 2lni.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
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHSHMNPDLALMVKNKGNECFQKGDYPQAMKHYTEAIKRNPKDAKLYSNRAACYTKLLEFQLALKDCEECIQLEPTFIKGYTRKAAALEAMKDY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHMNPDLALMVKNKGNECFQKGDYPQAMKHYTEAIKRNPKDAKLYSNRAACYTKLLEFQLALKDCEECIQLEPTFIKGYTRKAAALEAMKDY -------110-------120-------130--- TKAMDVYQKALDLDSSCKEAADGYQRCMMAQYN ||||||||||||||||||||||||||||||||| TKAMDVYQKALDLDSSCKEAADGYQRCMMAQYN
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 133 | 0 | 0 | 100.0 |
Content subtype: combined_18166_2lni.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHSHMNPDLALMVKNKGNECFQKGDYPQAMKHYTEAIKRNPKDAKLYSNRAACYTKLLEFQLALKDCEECIQLEPTFIKGYTRKAAALEAMKDY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHMNPDLALMVKNKGNECFQKGDYPQAMKHYTEAIKRNPKDAKLYSNRAACYTKLLEFQLALKDCEECIQLEPTFIKGYTRKAAALEAMKDY -------110-------120-------130--- TKAMDVYQKALDLDSSCKEAADGYQRCMMAQYN ||||||||||||||||||||||||||||||||| TKAMDVYQKALDLDSSCKEAADGYQRCMMAQYN
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 604 | 560 | 92.7 |
1H chemical shifts | 824 | 791 | 96.0 |
15N chemical shifts | 146 | 141 | 96.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 266 | 256 | 96.2 |
1H chemical shifts | 267 | 265 | 99.3 |
15N chemical shifts | 129 | 128 | 99.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 338 | 304 | 89.9 |
1H chemical shifts | 557 | 526 | 94.4 |
15N chemical shifts | 17 | 13 | 76.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 61 | 59 | 96.7 |
1H chemical shifts | 61 | 59 | 96.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 67 | 42 | 62.7 |
1H chemical shifts | 67 | 48 | 71.6 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHSHMNPDLALMVKNKGNECFQKGDYPQAMKHYTEAIKRNPKDAKLYSNRAACYTKLLEFQLALKDCEECIQLEPTFIKGYTRKAAALEAMKDY ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .GHHHHHHSHMNPDLALMVKNKGNECFQKGDYPQAMKHYTEAIKRNPKDAKLYSNRAACYTKLLEFQLALKDCEECIQLEPTFIKGYTRKAAALEAMKDY -------110-------120-------130--- TKAMDVYQKALDLDSSCKEAADGYQRCMMAQYN ||||||||||||||||||||||||||||||||| TKAMDVYQKALDLDSSCKEAADGYQRCMMAQYN
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHSHMNPDLALMVKNKGNECFQKGDYPQAMKHYTEAIKRNPKDAKLYSNRAACYTKLLEFQLALKDCEECIQLEPTFIKGYTRKAAALEAMKDY ||||||||||||||||| ||||||||||||||| ||||||||||||||| |||||||||||||||||||||||||||||||||||| .............DLALMVKNKGNECFQKG..PQAMKHYTEAIKRNP.DAKLYSNRAACYTKL.EFQLALKDCEECIQLEPTFIKGYTRKAAALEAMKDY -------110-------120-------130--- TKAMDVYQKALDLDSSCKEAADGYQRCMMAQYN ||||||||||||||||||||||||||||||||| TKAMDVYQKALDLDSSCKEAADGYQRCMMAQYN
RDC restraints