1H, 13C, and 15N Chemical Shift Assignments for the C-terminal EF-Hand domain of human cardiac sodium channel NaV1.5
GPGSENFSVA TEESTEPLSE DDFDMFYEIW EKFDPEATQF IEYSVLSDFA DALSEPLRIA KPNQISLINM DLPMVSGDRI HCMDILFAFT KRVLGES
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.1 % (1048 of 1126) | 97.8 % (569 of 582) | 85.7 % (383 of 447) | 99.0 % (96 of 97) |
Backbone | 98.6 % (562 of 570) | 99.0 % (190 of 192) | 97.9 % (281 of 287) | 100.0 % (91 of 91) |
Sidechain | 89.2 % (579 of 649) | 97.2 % (379 of 390) | 77.1 % (195 of 253) | 83.3 % (5 of 6) |
Aromatic | 45.5 % (51 of 112) | 91.1 % (51 of 56) | 0.0 % (0 of 55) | 0.0 % (0 of 1) |
Methyl | 100.0 % (96 of 96) | 100.0 % (48 of 48) | 100.0 % (48 of 48) |
1. hH1
GPGSENFSVA TEESTEPLSE DDFDMFYEIW EKFDPEATQF IEYSVLSDFA DALSEPLRIA KPNQISLINM DLPMVSGDRI HCMDILFAFT KRVLGESSolvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hH1 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 100 % | |
3 | phosphate | natural abundance | 100 mM | |
4 | NaCl | natural abundance | 200 mM | |
5 | beta-mercaptoethanol | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.01 % |
Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | hH1 | natural abundance | 1.2 mM | |
8 | H2O | natural abundance | 100 % | |
9 | phosphate | natural abundance | 100 mM | |
10 | NaCl | natural abundance | 200 mM | |
11 | beta-mercaptoethanol | natural abundance | 5 mM | |
12 | NaN3 | natural abundance | 0.01 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | methyl protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | methyl protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | methyl protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | methyl protons | 4.7 ppm | internal | direct | 1.0 |
Bruker AMX - 600 MHz cryoprobe
State isotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hH1 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 100 % | |
3 | phosphate | natural abundance | 100 mM | |
4 | NaCl | natural abundance | 200 mM | |
5 | beta-mercaptoethanol | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.01 % |
Bruker AMX - 600 MHz cryoprobe
State isotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hH1 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 100 % | |
3 | phosphate | natural abundance | 100 mM | |
4 | NaCl | natural abundance | 200 mM | |
5 | beta-mercaptoethanol | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.01 % |
Bruker AMX - 600 MHz cryoprobe
State isotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hH1 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 100 % | |
3 | phosphate | natural abundance | 100 mM | |
4 | NaCl | natural abundance | 200 mM | |
5 | beta-mercaptoethanol | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.01 % |
Bruker AMX - 600 MHz cryoprobe
State isotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hH1 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 100 % | |
3 | phosphate | natural abundance | 100 mM | |
4 | NaCl | natural abundance | 200 mM | |
5 | beta-mercaptoethanol | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.01 % |
Bruker AMX - 600 MHz cryoprobe
State isotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hH1 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 100 % | |
3 | phosphate | natural abundance | 100 mM | |
4 | NaCl | natural abundance | 200 mM | |
5 | beta-mercaptoethanol | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.01 % |
Bruker AMX - 600 MHz cryoprobe
State isotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hH1 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 100 % | |
3 | phosphate | natural abundance | 100 mM | |
4 | NaCl | natural abundance | 200 mM | |
5 | beta-mercaptoethanol | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.01 % |
Bruker AMX - 600 MHz cryoprobe
State isotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hH1 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 100 % | |
3 | phosphate | natural abundance | 100 mM | |
4 | NaCl | natural abundance | 200 mM | |
5 | beta-mercaptoethanol | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.01 % |
Bruker AMX - 600 MHz cryoprobe
State isotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hH1 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 100 % | |
3 | phosphate | natural abundance | 100 mM | |
4 | NaCl | natural abundance | 200 mM | |
5 | beta-mercaptoethanol | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.01 % |
Bruker AMX - 600 MHz cryoprobe
State isotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hH1 | [U-100% 13C; U-100% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 100 % | |
3 | phosphate | natural abundance | 100 mM | |
4 | NaCl | natural abundance | 200 mM | |
5 | beta-mercaptoethanol | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.01 % |
Bruker AMX - 600 MHz cryoprobe
State isotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | hH1 | natural abundance | 1.2 mM | |
8 | H2O | natural abundance | 100 % | |
9 | phosphate | natural abundance | 100 mM | |
10 | NaCl | natural abundance | 200 mM | |
11 | beta-mercaptoethanol | natural abundance | 5 mM | |
12 | NaN3 | natural abundance | 0.01 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16045_2kbi.nef |
Input source #2: Coordindates | 2kbi.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
--------1780------1790------1800------1810------1820------1830------1840------1850------1860----- GPGSENFSVATEESTEPLSEDDFDMFYEIWEKFDPEATQFIEYSVLSDFADALSEPLRIAKPNQISLINMDLPMVSGDRIHCMDILFAFTKRVLGES ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPGSENFSVATEESTEPLSEDDFDMFYEIWEKFDPEATQFIEYSVLSDFADALSEPLRIAKPNQISLINMDLPMVSGDRIHCMDILFAFTKRVLGES --------10--------20--------30--------40--------50--------60--------70--------80--------90-------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 97 | 0 | 0 | 100.0 |
Content subtype: combined_16045_2kbi.nef
Assigned chemical shifts
--------1780------1790------1800------1810------1820------1830------1840------1850------1860----- GPGSENFSVATEESTEPLSEDDFDMFYEIWEKFDPEATQFIEYSVLSDFADALSEPLRIAKPNQISLINMDLPMVSGDRIHCMDILFAFTKRVLGES ||| .PGS................................................................................................ -------------10--------20--------30--------40--------50--------60--------70--------80--------90----- .................................................................................................... --100-------110-------120-------130-------140-------150-------160-------170-------180-------190----- .................................................................................................... --200-------210-------220-------230-------240-------250-------260-------270-------280-------290----- .................................................................................................... --300-------310-------320-------330-------340-------350-------360-------370-------380-------390----- .................................................................................................... --400-------410-------420-------430-------440-------450-------460-------470-------480-------490----- .................................................................................................... --500-------510-------520-------530-------540-------550-------560-------570-------580-------590----- .................................................................................................... --600-------610-------620-------630-------640-------650-------660-------670-------680-------690----- .................................................................................................... --700-------710-------720-------730-------740-------750-------760-------770-------780-------790----- .................................................................................................... --800-------810-------820-------830-------840-------850-------860-------870-------880-------890----- .................................................................................................... --900-------910-------920-------930-------940-------950-------960-------970-------980-------990----- .................................................................................................... -1000------1010------1020------1030------1040------1050------1060------1070------1080------1090----- .................................................................................................... -1100------1110------1120------1130------1140------1150------1160------1170------1180------1190----- .................................................................................................... -1200------1210------1220------1230------1240------1250------1260------1270------1280------1290----- .................................................................................................... -1300------1310------1320------1330------1340------1350------1360------1370------1380------1390----- .................................................................................................... -1400------1410------1420------1430------1440------1450------1460------1470------1480------1490----- .................................................................................................... -1500------1510------1520------1530------1540------1550------1560------1570------1580------1590----- .................................................................................................... -1600------1610------1620------1630------1640------1650------1660------1670------1680------1690----- .............................................................................ENFSVATEESTEPLSEDDFDMFY -1700------1710------1720------1730------1740------1750------1760------1770------1780------1790----- EIWEKFDPEATQFIEYSVLSDFADALSEPLRIAKPNQISLINMDLPMVSGDRIHCMDILFAFTKRVLGES -1800------1810------1820------1830------1840------1850------1860-----
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 582 | 569 | 97.8 |
13C chemical shifts | 447 | 381 | 85.2 |
15N chemical shifts | 100 | 96 | 96.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 192 | 189 | 98.4 |
13C chemical shifts | 194 | 186 | 95.9 |
15N chemical shifts | 91 | 90 | 98.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 390 | 380 | 97.4 |
13C chemical shifts | 253 | 195 | 77.1 |
15N chemical shifts | 9 | 6 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 52 | 52 | 100.0 |
13C chemical shifts | 52 | 52 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 50 | 89.3 |
13C chemical shifts | 55 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
--------1780------1790------1800------1810------1820------1830------1840------1850------1860----- GPGSENFSVATEESTEPLSEDDFDMFYEIWEKFDPEATQFIEYSVLSDFADALSEPLRIAKPNQISLINMDLPMVSGDRIHCMDILFAFTKRVLGES ||| .PGS................................................................................................ -------------10--------20--------30--------40--------50--------60--------70--------80--------90----- .................................................................................................... --100-------110-------120-------130-------140-------150-------160-------170-------180-------190----- .................................................................................................... --200-------210-------220-------230-------240-------250-------260-------270-------280-------290----- .................................................................................................... --300-------310-------320-------330-------340-------350-------360-------370-------380-------390----- .................................................................................................... --400-------410-------420-------430-------440-------450-------460-------470-------480-------490----- .................................................................................................... --500-------510-------520-------530-------540-------550-------560-------570-------580-------590----- .................................................................................................... --600-------610-------620-------630-------640-------650-------660-------670-------680-------690----- .................................................................................................... --700-------710-------720-------730-------740-------750-------760-------770-------780-------790----- .................................................................................................... --800-------810-------820-------830-------840-------850-------860-------870-------880-------890----- .................................................................................................... --900-------910-------920-------930-------940-------950-------960-------970-------980-------990----- .................................................................................................... -1000------1010------1020------1030------1040------1050------1060------1070------1080------1090----- .................................................................................................... -1100------1110------1120------1130------1140------1150------1160------1170------1180------1190----- .................................................................................................... -1200------1210------1220------1230------1240------1250------1260------1270------1280------1290----- .................................................................................................... -1300------1310------1320------1330------1340------1350------1360------1370------1380------1390----- .................................................................................................... -1400------1410------1420------1430------1440------1450------1460------1470------1480------1490----- .................................................................................................... -1500------1510------1520------1530------1540------1550------1560------1570------1580------1590----- .................................................................................................... -1600------1610------1620------1630------1640------1650------1660------1670------1680------1690----- .............................................................................ENFSVATEESTEPLSEDDFDMFY -1700------1710------1720------1730------1740------1750------1760------1770------1780------1790----- EIWEKFDPEATQFIEYSVLSDFADALSEPLRIAKPNQISLINMDLPMVSGDRIHCMDILFAFTKRVLGES -1800------1810------1820------1830------1840------1850------1860-----
Dihedral angle restraints
--------1780------1790------1800------1810------1820------1830------1840------1850------1860----- GPGSENFSVATEESTEPLSEDDFDMFYEIWEKFDPEATQFIEYSVLSDFADALSEPLRIAKPNQISLINMDLPMVSGDRIHCMDILFAFTKRVLGES |||||||||||||| ||||||||||||||||||| || |||||||||| ||| ||| ||||||||||| ..................SEDDFDMFYEIWEK......QFIEYSVLSDFADALSEPL.IA.PNQISLINMD.PMV..DRI...DILFAFTKRVL -1770---1780------1790------1800------1810------1820------1830------1840------1850------1860--