NMR structure of the UHRF1 PHD domain
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 85.5 % (648 of 758) | 84.2 % (336 of 399) | 85.2 % (248 of 291) | 94.1 % (64 of 68) |
Backbone | 95.3 % (383 of 402) | 97.0 % (131 of 135) | 92.6 % (189 of 204) | 100.0 % (63 of 63) |
Sidechain | 78.0 % (329 of 422) | 77.7 % (205 of 264) | 80.4 % (123 of 153) | 20.0 % (1 of 5) |
Aromatic | 58.0 % (29 of 50) | 52.0 % (13 of 25) | 62.5 % (15 of 24) | 100.0 % (1 of 1) |
Methyl | 90.0 % (36 of 40) | 90.0 % (18 of 20) | 90.0 % (18 of 20) |
1. entity 1
SGPSCKHCKD DVNRLCRVCA CHLCGGRQDP DKQLMCDECD MAFHIYCLDP PLSSVPSEDE WYCPECRNDSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 137 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | DTT | natural abundance | 3 mM | |
5 | potassium chloride | natural abundance | 2.7 mM | |
6 | sodium azide | natural abundance | 0.1 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 |
---|---|---|---|---|---|---|
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 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 137 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | DTT | natural abundance | 3 mM | |
5 | potassium chloride | natural abundance | 2.7 mM | |
6 | sodium azide | natural abundance | 0.1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 137 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | DTT | natural abundance | 3 mM | |
5 | potassium chloride | natural abundance | 2.7 mM | |
6 | sodium azide | natural abundance | 0.1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 137 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | DTT | natural abundance | 3 mM | |
5 | potassium chloride | natural abundance | 2.7 mM | |
6 | sodium azide | natural abundance | 0.1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 137 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | DTT | natural abundance | 3 mM | |
5 | potassium chloride | natural abundance | 2.7 mM | |
6 | sodium azide | natural abundance | 0.1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 137 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | DTT | natural abundance | 3 mM | |
5 | potassium chloride | natural abundance | 2.7 mM | |
6 | sodium azide | natural abundance | 0.1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 137 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | DTT | natural abundance | 3 mM | |
5 | potassium chloride | natural abundance | 2.7 mM | |
6 | sodium azide | natural abundance | 0.1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 137 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | DTT | natural abundance | 3 mM | |
5 | potassium chloride | natural abundance | 2.7 mM | |
6 | sodium azide | natural abundance | 0.1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 137 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | DTT | natural abundance | 3 mM | |
5 | potassium chloride | natural abundance | 2.7 mM | |
6 | sodium azide | natural abundance | 0.1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 137 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | DTT | natural abundance | 3 mM | |
5 | potassium chloride | natural abundance | 2.7 mM | |
6 | sodium azide | natural abundance | 0.1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_17813_2lgl.nef |
Input source #2: Coordindates | 2lgl.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) |
---|---|---|---|---|
1:44:HIS:NE2 | 2:2:ZN:ZN | unknown | unknown | n/a |
1:8:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:66:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:24:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:5:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:16:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:39:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:63:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:19:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:47:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:36:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:21:CYS:SG | 2:2: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 |
B | 3 | ZN | ZINC ION | None |
Sequence alignments
-------320-------330-------340-------350-------360-------370--------- SGPSCKHCKDDVNRLCRVCACHLCGGRQDPDKQLMCDECDMAFHIYCLDPPLSSVPSEDEWYCPECRND ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SGPSCKHCKDDVNRLCRVCACHLCGGRQDPDKQLMCDECDMAFHIYCLDPPLSSVPSEDEWYCPECRND --------10--------20--------30--------40--------50--------60---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 69 | 0 | 0 | 100.0 |
Content subtype: combined_17813_2lgl.nef
Assigned chemical shifts
-------320-------330-------340-------350-------360-------370--------- SGPSCKHCKDDVNRLCRVCACHLCGGRQDPDKQLMCDECDMAFHIYCLDPPLSSVPSEDEWYCPECRND || |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SG.SCKHCKDDVNRLCRVCACHLCGGRQDPDKQLMCDECDMAFHIYCLDPPLSSVPSEDEWYCPECRND
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
311 | SER | HG | 8.161 |
371 | TRP | CE2 | 113.888 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 399 | 335 | 84.0 |
13C chemical shifts | 291 | 247 | 84.9 |
15N chemical shifts | 72 | 64 | 88.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 135 | 131 | 97.0 |
13C chemical shifts | 138 | 125 | 90.6 |
15N chemical shifts | 63 | 63 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 264 | 204 | 77.3 |
13C chemical shifts | 153 | 122 | 79.7 |
15N chemical shifts | 9 | 1 | 11.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 22 | 20 | 90.9 |
13C chemical shifts | 22 | 18 | 81.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 25 | 13 | 52.0 |
13C chemical shifts | 24 | 15 | 62.5 |
15N chemical shifts | 1 | 1 | 100.0 |
Covalent bonds
Distance restraints
-------320-------330-------340-------350-------360-------370--------- SGPSCKHCKDDVNRLCRVCACHLCGGRQDPDKQLMCDECDMAFHIYCLDPPLSSVPSEDEWYCPECRND |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...SCKHCKDDVNRLCRVCACHLCGGRQDPDKQLMCDECDMAFHIYCLDPPLSSVPSEDEWYCPECRND