PHD Domain from Human SHPRH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.6 % (786 of 877) | 90.3 % (418 of 463) | 87.9 % (297 of 338) | 93.4 % (71 of 76) |
Backbone | 91.4 % (391 of 428) | 91.6 % (131 of 143) | 90.8 % (197 of 217) | 92.6 % (63 of 68) |
Sidechain | 88.8 % (462 of 520) | 90.0 % (288 of 320) | 86.5 % (166 of 192) | 100.0 % (8 of 8) |
Aromatic | 73.1 % (57 of 78) | 84.6 % (33 of 39) | 60.5 % (23 of 38) | 100.0 % (1 of 1) |
Methyl | 93.3 % (56 of 60) | 93.3 % (28 of 30) | 93.3 % (28 of 30) |
1. SHPRH
GSPNSRVDFN TSDYRFECIC GELDQIDRKP RVQCLKCHLW QHAKCVNYDE KNLKIKPFYC PHCLVAMEPV STRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | 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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Varian Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-100% 13C; U-100% 15N] | 50 mM | |
2 | sodium chloride | natural abundance | 150 mM | |
3 | ZINC ION | natural abundance | 0.05 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19229_2m85.nef |
Input source #2: Coordindates | 2m85.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 | True (see coodinates for details) |
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)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
1:42:HIS:ND1 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:18:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:63:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:34:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:37:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:60:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:45:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:20:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | ZN | ZINC ION | None |
B | 2 | ZN | ZINC ION | None |
Sequence alignments
----650-------660-------670-------680-------690-------700-------710------ GSPNSRVDFNTSDYRFECICGELDQIDRKPRVQCLKCHLWQHAKCVNYDEKNLKIKPFYCPHCLVAMEPVSTR ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSPNSRVDFNTSDYRFECICGELDQIDRKPRVQCLKCHLWQHAKCVNYDEKNLKIKPFYCPHCLVAMEPVSTR --------10--------20--------30--------40--------50--------60--------70---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 73 | 0 | 0 | 100.0 |
Content subtype: combined_19229_2m85.nef
Assigned chemical shifts
----650-------660-------670-------680-------690-------700-------710------ GSPNSRVDFNTSDYRFECICGELDQIDRKPRVQCLKCHLWQHAKCVNYDEKNLKIKPFYCPHCLVAMEPVSTR ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........FNTSDYRFECICGELDQIDRKPRVQCLKCHLWQHAKCVNYDEKNLKIKPFYCPHCLVAMEPVSTR
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 463 | 409 | 88.3 |
13C chemical shifts | 338 | 285 | 84.3 |
15N chemical shifts | 81 | 68 | 84.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 143 | 127 | 88.8 |
13C chemical shifts | 146 | 125 | 85.6 |
15N chemical shifts | 68 | 61 | 89.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 320 | 282 | 88.1 |
13C chemical shifts | 192 | 160 | 83.3 |
15N chemical shifts | 13 | 7 | 53.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 31 | 29 | 93.5 |
13C chemical shifts | 31 | 29 | 93.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 31 | 79.5 |
13C chemical shifts | 38 | 19 | 50.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Covalent bonds
Distance restraints
----650-------660-------670-------680-------690-------700-------710------ GSPNSRVDFNTSDYRFECICGELDQIDRKPRVQCLKCHLWQHAKCVNYDEKNLKIKPFYCPHCLVAMEPVSTR ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........FNTSDYRFECICGELDQIDRKPRVQCLKCHLWQHAKCVNYDEKNLKIKPFYCPHCLVAMEPVSTR
Dihedral angle restraints
----650-------660-------670-------680-------690-------700-------710------ GSPNSRVDFNTSDYRFECICGELDQIDRKPRVQCLKCHLWQHAKCVNYDEKNLKIKPFYCPHCLVAMEPVSTR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .......DFNTSDYRFECICGELDQIDRKPRVQCLKCHLWQHAKCVNYDEKNLKIKPFYCPHCLVAMEPVSTR