Solution structure of the PHD domain of Yeast YNG2
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 94.2 % (568 of 603) | 97.1 % (306 of 315) | 89.9 % (213 of 237) | 96.1 % (49 of 51) |
Backbone | 95.2 % (278 of 292) | 96.0 % (95 of 99) | 94.6 % (139 of 147) | 95.7 % (44 of 46) |
Sidechain | 94.1 % (337 of 358) | 97.7 % (211 of 216) | 88.3 % (121 of 137) | 100.0 % (5 of 5) |
Aromatic | 82.2 % (74 of 90) | 97.8 % (44 of 45) | 65.1 % (28 of 43) | 100.0 % (2 of 2) |
Methyl | 100.0 % (30 of 30) | 100.0 % (15 of 15) | 100.0 % (15 of 15) |
1. entity 1
TLYCFCQRVS FGEMVACDGP NCKYEWFHYD CVNLKEPPKG TWYCPECKIESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
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 |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
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 |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
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 |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | sodium chloride | natural abundance | 300 mM | |
3 | potassium chloride | natural abundance | 2.7 mM | |
4 | potassium phosphate | natural abundance | 2 mM | |
5 | sodium phosphate | natural abundance | 10 mM | |
6 | CHAPS | natural abundance | 0.05 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25221_2mum.nef |
Input source #2: Coordindates | 2mum.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) |
---|---|---|---|---|
1:28:HIS:NE2 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:4:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:44:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:17:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:47:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:31:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:22:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:6: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
------230-------240-------250-------260-------270- TLYCFCQRVSFGEMVACDGPNCKYEWFHYDCVNLKEPPKGTWYCPECKIE |||||||||||||||||||||||||||||||||||||||||||||||||| TLYCFCQRVSFGEMVACDGPNCKYEWFHYDCVNLKEPPKGTWYCPECKIE --------10--------20--------30--------40--------50
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 50 | 0 | 0 | 100.0 |
Content subtype: combined_25221_2mum.nef
Assigned chemical shifts
------230-------240-------250-------260-------270- TLYCFCQRVSFGEMVACDGPNCKYEWFHYDCVNLKEPPKGTWYCPECKIE |||||||||||||||||||||||||||||||||||||||||||||||||| TLYCFCQRVSFGEMVACDGPNCKYEWFHYDCVNLKEPPKGTWYCPECKIE
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 315 | 310 | 98.4 |
13C chemical shifts | 237 | 213 | 89.9 |
15N chemical shifts | 52 | 49 | 94.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 99 | 97 | 98.0 |
13C chemical shifts | 100 | 92 | 92.0 |
15N chemical shifts | 46 | 44 | 95.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 216 | 213 | 98.6 |
13C chemical shifts | 137 | 121 | 88.3 |
15N chemical shifts | 6 | 5 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 16 | 15 | 93.8 |
13C chemical shifts | 16 | 15 | 93.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 44 | 97.8 |
13C chemical shifts | 43 | 28 | 65.1 |
15N chemical shifts | 2 | 2 | 100.0 |
Covalent bonds
Distance restraints
------230-------240-------250-------260-------270- TLYCFCQRVSFGEMVACDGPNCKYEWFHYDCVNLKEPPKGTWYCPECKIE |||||||||||||||||||||||||||||||||||||||||||||||||| TLYCFCQRVSFGEMVACDGPNCKYEWFHYDCVNLKEPPKGTWYCPECKIE
Dihedral angle restraints
------230-------240-------250-------260-------270- TLYCFCQRVSFGEMVACDGPNCKYEWFHYDCVNLKEPPKGTWYCPECKIE ||||||||||||||||||||||||||||||||||||| |||||||||||| TLYCFCQRVSFGEMVACDGPNCKYEWFHYDCVNLKEP.KGTWYCPECKIE