Solution NMR Structure plectin repeat domain 6 (4403-4606) of Plectin from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR6354E
MGHHHHHHSH MQLASWSDPT EETGPVAGIL DTETLEKVSI TEAMHRNLVD NITGQRLLEA QACTGGIIDP STGERFPVTD AVNKGLVDKI MVDRINLAQK AFCGFEDPRT KTKMSAAQAL KKGWLYYEAG QRFLEVQYLT GGLIEPDTPG RVPLDEALQR GTVDARTAQK LRDVGAYSKY LTCPKTKLKI SYKDALDRSM VEEGTGLRLL EAAAQ
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 52.8 % (1290 of 2441) | 33.0 % (418 of 1266) | 70.7 % (674 of 953) | 89.2 % (198 of 222) |
Backbone | 82.9 % (1054 of 1272) | 63.6 % (279 of 439) | 92.2 % (578 of 627) | 95.6 % (197 of 206) |
Sidechain | 31.0 % (423 of 1366) | 16.9 % (140 of 827) | 53.9 % (282 of 523) | 6.3 % (1 of 16) |
Aromatic | 12.5 % (18 of 144) | 15.3 % (11 of 72) | 8.6 % (6 of 70) | 50.0 % (1 of 2) |
Methyl | 69.4 % (172 of 248) | 58.9 % (73 of 124) | 79.8 % (99 of 124) |
1. Plectin
MGHHHHHHSH MQLASWSDPT EETGPVAGIL DTETLEKVSI TEAMHRNLVD NITGQRLLEA QACTGGIIDP STGERFPVTD AVNKGLVDKI MVDRINLAQK AFCGFEDPRT KTKMSAAQAL KKGWLYYEAG QRFLEVQYLT GGLIEPDTPG RVPLDEALQR GTVDARTAQK LRDVGAYSKY LTCPKTKLKI SYKDALDRSM VEEGTGLRLL EAAAQSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
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 |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz UB high field NMR
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Plectin | [U-100% 13C; U-100% 15N; U-2H; ILV-1H] | 1 mM | |
2 | MES pH 6.5 | natural abundance | 20 mM | |
3 | NaCL | natural abundance | 100 mM | |
4 | CaCL2 | natural abundance | 5 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Proteinase Inhibitors | natural abundance | 1 ratio | |
8 | DSS | natural abundance | 50 uM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19753_2n03.nef |
Input source #2: Coordindates | 2n03.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
-----4400------4410------4420------4430------4440------4450------4460------4470------4480------4490- MGHHHHHHSHMQLASWSDPTEETGPVAGILDTETLEKVSITEAMHRNLVDNITGQRLLEAQACTGGIIDPSTGERFPVTDAVNKGLVDKIMVDRINLAQK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHMQLASWSDPTEETGPVAGILDTETLEKVSITEAMHRNLVDNITGQRLLEAQACTGGIIDPSTGERFPVTDAVNKGLVDKIMVDRINLAQK --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -----4500------4510------4520------4530------4540------4550------4560------4570------4580------4590- AFCGFEDPRTKTKMSAAQALKKGWLYYEAGQRFLEVQYLTGGLIEPDTPGRVPLDEALQRGTVDARTAQKLRDVGAYSKYLTCPKTKLKISYKDALDRSM |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AFCGFEDPRTKTKMSAAQALKKGWLYYEAGQRFLEVQYLTGGLIEPDTPGRVPLDEALQRGTVDARTAQKLRDVGAYSKYLTCPKTKLKISYKDALDRSM -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 -----4600------ VEEGTGLRLLEAAAQ ||||||||||||||| VEEGTGLRLLEAAAQ -------210-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 215 | 0 | 0 | 100.0 |
Content subtype: combined_19753_2n03.nef
Assigned chemical shifts
-----4400------4410------4420------4430------4440------4450------4460------4470------4480------4490- MGHHHHHHSHMQLASWSDPTEETGPVAGILDTETLEKVSITEAMHRNLVDNITGQRLLEAQACTGGIIDPSTGERFPVTDAVNKGLVDKIMVDRINLAQK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..........MQLASWSDPTEETGPVAGILDTETLEKVSITEAMHRNLVDNITGQRLLEAQACTGGIIDPSTGERFPVTDAVNKGLVDKIMVDRINLAQK -----4500------4510------4520------4530------4540------4550------4560------4570------4580------4590- AFCGFEDPRTKTKMSAAQALKKGWLYYEAGQRFLEVQYLTGGLIEPDTPGRVPLDEALQRGTVDARTAQKLRDVGAYSKYLTCPKTKLKISYKDALDRSM |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AFCGFEDPRTKTKMSAAQALKKGWLYYEAGQRFLEVQYLTGGLIEPDTPGRVPLDEALQRGTVDARTAQKLRDVGAYSKYLTCPKTKLKISYKDALDRSM -----4600------ VEEGTGLRLLEAAAQ ||||||||||||||| VEEGTGLRLLEAAAQ
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1266 | 335 | 26.5 |
13C chemical shifts | 953 | 662 | 69.5 |
15N chemical shifts | 234 | 195 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 439 | 259 | 59.0 |
13C chemical shifts | 430 | 391 | 90.9 |
15N chemical shifts | 206 | 195 | 94.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 827 | 76 | 9.2 |
13C chemical shifts | 523 | 271 | 51.8 |
15N chemical shifts | 28 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 130 | 74 | 56.9 |
13C chemical shifts | 130 | 101 | 77.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 72 | 0 | 0.0 |
13C chemical shifts | 70 | 0 | 0.0 |
15N chemical shifts | 2 | 0 | 0.0 |
Distance restraints
-----4400------4410------4420------4430------4440------4450------4460------4470------4480------4490- MGHHHHHHSHMQLASWSDPTEETGPVAGILDTETLEKVSITEAMHRNLVDNITGQRLLEAQACTGGIIDPSTGERFPVTDAVNKGLVDKIMVDRINLAQK |||||||| ||||| ||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||| ..........MQLASWSD.TEETG.VAGILDTETLEKVSITEAMHRNLVDNITGQRLLEAQACTGGIIDPSTGERF.VTDAVNKGLVDKIMVDRINLAQK -----4500------4510------4520------4530------4540------4550------4560------4570------4580------4590- AFCGFEDPRTKTKMSAAQALKKGWLYYEAGQRFLEVQYLTGGLIEPDTPGRVPLDEALQRGTVDARTAQKLRDVGAYSKYLTCPKTKLKISYKDALDRSM ||||||||||||||||||||||||||||||||||||||||||||| |||||| |||||||||||||||||||||||||||||| |||||||||||||||| AFCGFEDPRTKTKMSAAQALKKGWLYYEAGQRFLEVQYLTGGLIE.DTPGRV.LDEALQRGTVDARTAQKLRDVGAYSKYLTC.KTKLKISYKDALDRSM -----4600------ VEEGTGLRLLEAAAQ ||||||||||||||| VEEGTGLRLLEAAAQ
Dihedral angle restraints
-----4400------4410------4420------4430------4440------4450------4460------4470------4480------4490- MGHHHHHHSHMQLASWSDPTEETGPVAGILDTETLEKVSITEAMHRNLVDNITGQRLLEAQACTGGIIDPSTGERFPVTDAVNKGLVDKIMVDRINLAQK | ||||||| ||||||||||| |||||||||||||||||||||| |||||||||||| |||||||||||||| ......................T..VAGILDT...EKVSITEAMHR..VDNITGQRLLEAQACTGGIIDP..GERFPVTDAVNK..VDKIMVDRINLAQK -----4400------4410------4420------4430------4440------4450------4460------4470------4480------4490- -----4500------4510------4520------4530------4540------4550------4560------4570------4580------4590- AFCGFEDPRTKTKMSAAQALKKGWLYYEAGQRFLEVQYLTGGLIEPDTPGRVPLDEALQRGTVDARTAQKLRDVGAYSKYLTCPKTKLKISYKDALDRSM ||| | |||||||| ||||||||||||||| ||| |||||||||||| ||||||||||||||||||||| ||||||||||||| AFC.......K...SAAQALKK...YYEAGQRFLEVQYLT..LIE....GRVPLDEALQRG.VDARTAQKLRDVGAYSKYLTC....LKISYKDALDRSM -----4500------4510------4520------4530------4540------4550------4560------4570------4580------4590- -----4600------ VEEGTGLRLLEAAAQ || ||||||| VE....LRLLEAA -----4600----