Chemical shift assignment of yeast Hit1 protein zinc finger
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.5 % (484 of 553) | 86.0 % (251 of 292) | 89.2 % (190 of 213) | 89.6 % (43 of 48) |
Backbone | 91.7 % (266 of 290) | 90.1 % (91 of 101) | 93.7 % (133 of 142) | 89.4 % (42 of 47) |
Sidechain | 84.4 % (259 of 307) | 83.8 % (160 of 191) | 85.2 % (98 of 115) | 100.0 % (1 of 1) |
Aromatic | 55.6 % (20 of 36) | 55.6 % (10 of 18) | 55.6 % (10 of 18) | |
Methyl | 88.2 % (30 of 34) | 88.2 % (15 of 17) | 88.2 % (15 of 17) |
1. entity 1
GPHMVSSAVK CGICRGVDGK YKCPKCGVRY CSLKCYKDAA KHVHKESEQSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 80.9 % (895 of 1106) | 83.4 % (487 of 584) | 76.3 % (325 of 426) | 86.5 % (83 of 96) |
Backbone | 81.9 % (475 of 580) | 87.6 % (177 of 202) | 76.4 % (217 of 284) | 86.2 % (81 of 94) |
Sidechain | 81.4 % (500 of 614) | 81.2 % (310 of 382) | 81.7 % (188 of 230) | 100.0 % (2 of 2) |
Aromatic | 55.6 % (40 of 72) | 55.6 % (20 of 36) | 55.6 % (20 of 36) | |
Methyl | 88.2 % (60 of 68) | 88.2 % (30 of 34) | 88.2 % (30 of 34) |
1. entity 1
GPHMVSSAVK CGICRGVDGK YKCPKCGVRY CSLKCYKDAA KHVHKESEQSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | 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 |
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 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 2.2 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | TCEP | natural abundance | 0.5 mM | |
5 | DTT | [U-2H] | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25881_2n95.nef |
Input source #2: Coordindates | 2n95.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 | Error |
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 |
1:42:HIS:NE2 | 2:2:ZN:ZN | unknown | unknown | n/a |
1:11:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:14:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:26:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:35:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:23:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:31: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 | Distance restraints |
B | 2 | ZN | ZINC ION | None |
Sequence alignments
-----------10--------20--------30--------40------ GPHMVSSAVKCGICRGVDGKYKCPKCGVRYCSLKCYKDAAKHVHKESEQ ||||||||||||||||||||||||||||||||||||||||||||||||| GPHMVSSAVKCGICRGVDGKYKCPKCGVRYCSLKCYKDAAKHVHKESEQ --------10--------20--------30--------40---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 49 | 0 | 0 | 100.0 |
Content subtype: combined_25881_2n95.nef
Assigned chemical shifts
-----------10--------20--------30--------40------ GPHMVSSAVKCGICRGVDGKYKCPKCGVRYCSLKCYKDAAKHVHKESEQ | |||||||||||||||||||||||||||||||||||||||||||||| .P.MVSSAVKCGICRGVDGKYKCPKCGVRYCSLKCYKDAAKHVHKESEQ
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
39 | HIS | ND1 | 171.279 |
39 | HIS | NE2 | 215.575 |
41 | HIS | ND1 | 173.269 |
41 | HIS | NE2 | 211.535 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 292 | 251 | 86.0 |
13C chemical shifts | 213 | 190 | 89.2 |
15N chemical shifts | 50 | 43 | 86.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 101 | 91 | 90.1 |
13C chemical shifts | 98 | 92 | 93.9 |
15N chemical shifts | 47 | 42 | 89.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 191 | 160 | 83.8 |
13C chemical shifts | 115 | 98 | 85.2 |
15N chemical shifts | 3 | 1 | 33.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 18 | 16 | 88.9 |
13C chemical shifts | 18 | 16 | 88.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 18 | 10 | 55.6 |
13C chemical shifts | 18 | 10 | 55.6 |
-----------10--------20--------30--------40------ GPHMVSSAVKCGICRGVDGKYKCPKCGVRYCSLKCYKDAAKHVHKESEQ | ||| ||||||||||||||||||||||||||||||||||||| |||| .P.MVS.AVKCGICRGVDGKYKCPKCGVRYCSLKCYKDAAKHVH.ESEQ
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
39 | HIS | ND1 | 171.518 |
39 | HIS | NE2 | 215.996 |
41 | HIS | ND1 | 173.229 |
41 | HIS | NE2 | 212.139 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 292 | 234 | 80.1 |
13C chemical shifts | 213 | 132 | 62.0 |
15N chemical shifts | 50 | 40 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 101 | 86 | 85.1 |
13C chemical shifts | 98 | 43 | 43.9 |
15N chemical shifts | 47 | 39 | 83.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 191 | 148 | 77.5 |
13C chemical shifts | 115 | 89 | 77.4 |
15N chemical shifts | 3 | 1 | 33.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 18 | 16 | 88.9 |
13C chemical shifts | 18 | 16 | 88.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 18 | 10 | 55.6 |
13C chemical shifts | 18 | 10 | 55.6 |
Covalent bonds
Distance restraints
-----------10--------20--------30--------40------ GPHMVSSAVKCGICRGVDGKYKCPKCGVRYCSLKCYKDAAKHVHKESEQ | | ||||||||||||||||||||||||||||||||||||| |||| ...M.S.AVKCGICRGVDGKYKCPKCGVRYCSLKCYKDAAKHVH.ESEQ
Dihedral angle restraints