Solution NMR Structure of the serine-rich domain of hEF1( Enhancer of filamentation 1) from homo sapiens, Northeast Structural Genomics Consortium Target HR5554A
MGHHHHHHSH MDKRLFLDPD TAIERLQRLQ QALEMGVSSL MALVTTDWRC YGYMERHINE IRTAVDKVEL FLKEYLHFVK GAVANAACLP ELILHNKMKR ELQRVEDSHQ ILSQTSHDLN ECSWSLNILA INKPQNKCDD LDRFVMVAKT VPDDAKQLTT TINTNAEALF RPGPGS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.5 % (1750 of 2070) | 90.6 % (975 of 1076) | 75.4 % (607 of 805) | 88.9 % (168 of 189) |
Backbone | 77.8 % (812 of 1044) | 88.9 % (313 of 352) | 67.0 % (350 of 522) | 87.6 % (149 of 170) |
Sidechain | 91.5 % (1094 of 1196) | 91.4 % (662 of 724) | 91.2 % (413 of 453) | 100.0 % (19 of 19) |
Aromatic | 73.3 % (107 of 146) | 75.3 % (55 of 73) | 70.4 % (50 of 71) | 100.0 % (2 of 2) |
Methyl | 100.0 % (202 of 202) | 100.0 % (101 of 101) | 100.0 % (101 of 101) |
1. HR5554A
MGHHHHHHSH MDKRLFLDPD TAIERLQRLQ QALEMGVSSL MALVTTDWRC YGYMERHINE IRTAVDKVEL FLKEYLHFVK GAVANAACLP ELILHNKMKR ELQRVEDSHQ ILSQTSHDLN ECSWSLNILA INKPQNKCDD LDRFVMVAKT VPDDAKQLTT TINTNAEALF RPGPGSSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-5% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | HR5554A | [U-5% 13C; U-100% 15N] | 0.56 mM | |
5 | H2O | natural abundance | 95 mM | |
6 | D2O | natural abundance | 5 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR5554A | [U-100% 13C; U-100% 15N] | 0.56 mM | |
2 | H2O | natural abundance | 95 mM | |
3 | D2O | natural abundance | 5 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17389_2l81.nef |
Input source #2: Coordindates | 2l81.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 MGHHHHHHSHMDKRLFLDPDTAIERLQRLQQALEMGVSSLMALVTTDWRCYGYMERHINEIRTAVDKVELFLKEYLHFVKGAVANAACLPELILHNKMKR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHMDKRLFLDPDTAIERLQRLQQALEMGVSSLMALVTTDWRCYGYMERHINEIRTAVDKVELFLKEYLHFVKGAVANAACLPELILHNKMKR -------110-------120-------130-------140-------150-------160-------170------ ELQRVEDSHQILSQTSHDLNECSWSLNILAINKPQNKCDDLDRFVMVAKTVPDDAKQLTTTINTNAEALFRPGPGS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ELQRVEDSHQILSQTSHDLNECSWSLNILAINKPQNKCDDLDRFVMVAKTVPDDAKQLTTTINTNAEALFRPGPGS
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 176 | 0 | 0 | 100.0 |
Content subtype: combined_17389_2l81.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHSHMDKRLFLDPDTAIERLQRLQQALEMGVSSLMALVTTDWRCYGYMERHINEIRTAVDKVELFLKEYLHFVKGAVANAACLPELILHNKMKR |||||||||||||||||||||||||||||||||||| | |||||||||||||||||||||||||||||||||||||||||||||||||| ..........MDKRLFLDPDTAIERLQRLQQALEMGVSSLMALVTT.W..YGYMERHINEIRTAVDKVELFLKEYLHFVKGAVANAACLPELILHNKMKR -------110-------120-------130-------140-------150-------160-------170------ ELQRVEDSHQILSQTSHDLNECSWSLNILAINKPQNKCDDLDRFVMVAKTVPDDAKQLTTTINTNAEALFRPGPGS ||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||| ELQRVEDSHQILSQTSHDLNECSWSLNILAINKPQNK.DDLDRFVMVAKTVPDDAKQLTTTINTNAEALFRPGPGS
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
75 | TYR | HH | 7.813 |
115 | THR | HG1 | 4.47 |
159 | THR | HG1 | 6.354 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1076 | 966 | 89.8 |
13C chemical shifts | 805 | 569 | 70.7 |
15N chemical shifts | 199 | 162 | 81.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 352 | 309 | 87.8 |
13C chemical shifts | 352 | 158 | 44.9 |
15N chemical shifts | 170 | 143 | 84.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 724 | 657 | 90.7 |
13C chemical shifts | 453 | 411 | 90.7 |
15N chemical shifts | 29 | 19 | 65.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 108 | 106 | 98.1 |
13C chemical shifts | 108 | 106 | 98.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 73 | 54 | 74.0 |
13C chemical shifts | 71 | 50 | 70.4 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHSHMDKRLFLDPDTAIERLQRLQQALEMGVSSLMALVTTDWRCYGYMERHINEIRTAVDKVELFLKEYLHFVKGAVANAACLPELILHNKMKR |||||||||||||||||||||||||||||||||||| | |||||||||||||||||||||||||||||||||||||||||||||||||| ..........MDKRLFLDPDTAIERLQRLQQALEMGVSSLMALVTT.W..YGYMERHINEIRTAVDKVELFLKEYLHFVKGAVANAACLPELILHNKMKR -------110-------120-------130-------140-------150-------160-------170------ ELQRVEDSHQILSQTSHDLNECSWSLNILAINKPQNKCDDLDRFVMVAKTVPDDAKQLTTTINTNAEALFRPGPGS ||||||||||||||||||||||||||||||||||| | |||||||||||||||||||||||||||||||||||| | ELQRVEDSHQILSQTSHDLNECSWSLNILAINKPQ.K.DDLDRFVMVAKTVPDDAKQLTTTINTNAEALFRPGP.S
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGHHHHHHSHMDKRLFLDPDTAIERLQRLQQALEMGVSSLMALVTTDWRCYGYMERHINEIRTAVDKVELFLKEYLHFVKGAVANAACLPELILHNKMKR ||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||| ||||||||| .............RLFLDPDTAIERLQRLQQALEMGVSSLMALV.....CYGYMERHINEIRTAVDKVELFLKEYLHFVKGAVANAACL..LILHNKMKR --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170------ ELQRVEDSHQILSQTSHDLNECSWSLNILAINKPQNKCDDLDRFVMVAKTVPDDAKQLTTTINTNAEALFRPGPGS |||||||||||||||||||||| ||||||| |||||||||||||||||||||||||||||||||| ELQRVEDSHQILSQTSHDLNEC..SLNILAI.......DDLDRFVMVAKTVPDDAKQLTTTINTNAEALFRP -------110-------120-------130-------140-------150-------160-------170--