Solution Structure of the SAP30 zinc finger motif
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.8 % (756 of 842) | 85.2 % (385 of 452) | 95.5 % (297 of 311) | 93.7 % (74 of 79) |
Backbone | 96.0 % (409 of 426) | 97.3 % (143 of 147) | 96.2 % (200 of 208) | 93.0 % (66 of 71) |
Sidechain | 85.5 % (412 of 482) | 79.3 % (242 of 305) | 95.9 % (162 of 169) | 100.0 % (8 of 8) |
Aromatic | 64.7 % (22 of 34) | 64.7 % (11 of 17) | 64.7 % (11 of 17) | |
Methyl | 100.0 % (58 of 58) | 100.0 % (29 of 29) | 100.0 % (29 of 29) |
1. SAP30 ZnF
SNAGQLCCLR EDGERCGRAA GNASFSKRIQ KSISQKKVKI ELDKSARHLY ICDYHKNLIQ SVRNRRKRKG SSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
2 | TRIS | [U-13C; U-15N] | 20 mM | |
3 | acetic acid | [U-13C] | 20 mM | |
4 | DTT | [U-2H] | 2 mM | |
5 | Sodium Azide | natural abundance | 0.2 % | |
6 | zinc chloride | natural abundance | 0.56 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
10 | TRIS | [U-13C; U-15N] | 20 mM | |
11 | acetic acid | [U-13C] | 20 mM | |
12 | DTT | [U-2H] | 2 mM | |
13 | Sodium Azide | natural abundance | 0.2 % | |
14 | zinc chloride | natural abundance | 0.56 mM | |
15 | H2O | natural abundance | 90 % | |
16 | 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 | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
2 | TRIS | [U-13C; U-15N] | 20 mM | |
3 | acetic acid | [U-13C] | 20 mM | |
4 | DTT | [U-2H] | 2 mM | |
5 | Sodium Azide | natural abundance | 0.2 % | |
6 | zinc chloride | natural abundance | 0.56 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
10 | TRIS | [U-13C; U-15N] | 20 mM | |
11 | acetic acid | [U-13C] | 20 mM | |
12 | DTT | [U-2H] | 2 mM | |
13 | Sodium Azide | natural abundance | 0.2 % | |
14 | zinc chloride | natural abundance | 0.56 mM | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
2 | TRIS | [U-13C; U-15N] | 20 mM | |
3 | acetic acid | [U-13C] | 20 mM | |
4 | DTT | [U-2H] | 2 mM | |
5 | Sodium Azide | natural abundance | 0.2 % | |
6 | zinc chloride | natural abundance | 0.56 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 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
2 | TRIS | [U-13C; U-15N] | 20 mM | |
3 | acetic acid | [U-13C] | 20 mM | |
4 | DTT | [U-2H] | 2 mM | |
5 | Sodium Azide | natural abundance | 0.2 % | |
6 | zinc chloride | natural abundance | 0.56 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 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
2 | TRIS | [U-13C; U-15N] | 20 mM | |
3 | acetic acid | [U-13C] | 20 mM | |
4 | DTT | [U-2H] | 2 mM | |
5 | Sodium Azide | natural abundance | 0.2 % | |
6 | zinc chloride | natural abundance | 0.56 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 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
2 | TRIS | [U-13C; U-15N] | 20 mM | |
3 | acetic acid | [U-13C] | 20 mM | |
4 | DTT | [U-2H] | 2 mM | |
5 | Sodium Azide | natural abundance | 0.2 % | |
6 | zinc chloride | natural abundance | 0.56 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
10 | TRIS | [U-13C; U-15N] | 20 mM | |
11 | acetic acid | [U-13C] | 20 mM | |
12 | DTT | [U-2H] | 2 mM | |
13 | Sodium Azide | natural abundance | 0.2 % | |
14 | zinc chloride | natural abundance | 0.56 mM | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
10 | TRIS | [U-13C; U-15N] | 20 mM | |
11 | acetic acid | [U-13C] | 20 mM | |
12 | DTT | [U-2H] | 2 mM | |
13 | Sodium Azide | natural abundance | 0.2 % | |
14 | zinc chloride | natural abundance | 0.56 mM | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
2 | TRIS | [U-13C; U-15N] | 20 mM | |
3 | acetic acid | [U-13C] | 20 mM | |
4 | DTT | [U-2H] | 2 mM | |
5 | Sodium Azide | natural abundance | 0.2 % | |
6 | zinc chloride | natural abundance | 0.56 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SAP30 ZnF | [U-95% 13C; U-95% 15N] | 0.56 mM | |
10 | TRIS | [U-13C; U-15N] | 20 mM | |
11 | acetic acid | [U-13C] | 20 mM | |
12 | DTT | [U-2H] | 2 mM | |
13 | Sodium Azide | natural abundance | 0.2 % | |
14 | zinc chloride | natural abundance | 0.56 mM | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16127_2kdp.nef |
Input source #2: Coordindates | 2kdp.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) |
---|---|---|---|---|
1:7:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:16:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:52:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:55:HIS:ND1 | 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 |
Sequence alignments
--------70--------80--------90-------100-------110-------120-------130- SNAGQLCCLREDGERCGRAAGNASFSKRIQKSISQKKVKIELDKSARHLYICDYHKNLIQSVRNRRKRKGS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SNAGQLCCLREDGERCGRAAGNASFSKRIQKSISQKKVKIELDKSARHLYICDYHKNLIQSVRNRRKRKGS --------10--------20--------30--------40--------50--------60--------70-
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 71 | 0 | 0 | 100.0 |
Content subtype: combined_16127_2kdp.nef
Assigned chemical shifts
--------70--------80--------90-------100-------110-------120-------130- SNAGQLCCLREDGERCGRAAGNASFSKRIQKSISQKKVKIELDKSARHLYICDYHKNLIQSVRNRRKRKGS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SNAGQLCCLREDGERCGRAAGNASFSKRIQKSISQKKVKIELDKSARHLYICDYHKNLIQSVRNRRKRKGS
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
68 | CYS | HG | 1.9 |
108 | HIS | ND1 | 137.13 |
108 | HIS | NE2 | 164.74 |
115 | HIS | ND1 | 223.47 |
115 | HIS | NE2 | 172.13 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 452 | 384 | 85.0 |
13C chemical shifts | 311 | 297 | 95.5 |
15N chemical shifts | 88 | 74 | 84.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 147 | 142 | 96.6 |
13C chemical shifts | 142 | 135 | 95.1 |
15N chemical shifts | 71 | 66 | 93.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 305 | 242 | 79.3 |
13C chemical shifts | 169 | 162 | 95.9 |
15N chemical shifts | 17 | 8 | 47.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 29 | 29 | 100.0 |
13C chemical shifts | 29 | 29 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 17 | 11 | 64.7 |
13C chemical shifts | 17 | 11 | 64.7 |
Covalent bonds
Distance restraints
--------70--------80--------90-------100-------110-------120-------130- SNAGQLCCLREDGERCGRAAGNASFSKRIQKSISQKKVKIELDKSARHLYICDYHKNLIQSVRNRRKRKGS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .NAGQLCCLREDGERCGRAAGNASFSKRIQKSISQKKVKIELDKSARHLYICDYHKNLIQSVRNRRKRKG --------70--------80--------90-------100-------110-------120-------130
Dihedral angle restraints
--------70--------80--------90-------100-------110-------120-------130- SNAGQLCCLREDGERCGRAAGNASFSKRIQKSISQKKVKIELDKSARHLYICDYHKNLIQSVRNRRKRKGS |||||||| ||||||||||| |||||| |||||||||||| ........LREDGERC.........SKRIQKSISQK.VKIELD.......ICDYHKNLIQSV --------70--------80--------90-------100-------110-------120--