Structure of SAP30L corepressor protein
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | metal coordination | sing | 1:CYS7:SG | 2:ZN1:ZN |
2 | metal coordination | sing | 1:CYS16:SG | 2:ZN1:ZN |
3 | metal coordination | sing | 1:CYS52:SG | 2:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.8 % (749 of 853) | 94.1 % (429 of 456) | 79.8 % (256 of 321) | 84.2 % (64 of 76) |
Backbone | 82.3 % (344 of 418) | 95.8 % (137 of 143) | 69.4 % (143 of 206) | 92.8 % (64 of 69) |
Sidechain | 93.8 % (470 of 501) | 93.3 % (292 of 313) | 98.3 % (178 of 181) | 0.0 % (0 of 7) |
Aromatic | 100.0 % (54 of 54) | 100.0 % (27 of 27) | 100.0 % (27 of 27) | |
Methyl | 100.0 % (58 of 58) | 100.0 % (29 of 29) | 100.0 % (29 of 29) |
1. entity 1
GSYGQSCCLI EDGERCVRPA GNASFSKRVQ KSISQKKLKL DIDKSVRHLY ICDFHKNFIQ SVRNKRKRKTSolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
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 | water | protons | 4.76 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 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 | water | protons | 4.76 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 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 | water | protons | 4.76 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 0.0 ppm | na | indirect | 0.1013291 |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.5 mM | |
2 | ZINC ION | natural abundance | 0.5 mM | |
3 | BIS-TRIS | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 30 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25575_2n1u.nef |
Input source #2: Coordindates | 2n1u.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) |
---|---|---|---|---|
1:55:HIS:ND1 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:16:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:7:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:52: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 |
Sequence alignments
------30--------40--------50--------60--------70--------80--------90-- GSYGQSCCLIEDGERCVRPAGNASFSKRVQKSISQKKLKLDIDKSVRHLYICDFHKNFIQSVRNKRKRKT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSYGQSCCLIEDGERCVRPAGNASFSKRVQKSISQKKLKLDIDKSVRHLYICDFHKNFIQSVRNKRKRKT --------10--------20--------30--------40--------50--------60--------70
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 70 | 0 | 0 | 100.0 |
Content subtype: combined_25575_2n1u.nef
Assigned chemical shifts
------30--------40--------50--------60--------70--------80--------90-- GSYGQSCCLIEDGERCVRPAGNASFSKRVQKSISQKKLKLDIDKSVRHLYICDFHKNFIQSVRNKRKRKT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SYGQSCCLIEDGERCVRPAGNASFSKRVQKSISQKKLKLDIDKSVRHLYICDFHKNFIQSVRNKRKRKT
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
70 | HIS | HE2 | 13.33 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 456 | 425 | 93.2 |
13C chemical shifts | 321 | 247 | 76.9 |
15N chemical shifts | 83 | 64 | 77.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 143 | 133 | 93.0 |
13C chemical shifts | 140 | 69 | 49.3 |
15N chemical shifts | 69 | 62 | 89.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 313 | 292 | 93.3 |
13C chemical shifts | 181 | 178 | 98.3 |
15N chemical shifts | 14 | 2 | 14.3 |
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 | 27 | 27 | 100.0 |
13C chemical shifts | 27 | 27 | 100.0 |
Covalent bonds
Distance restraints
------30--------40--------50--------60--------70--------80--------90-- GSYGQSCCLIEDGERCVRPAGNASFSKRVQKSISQKKLKLDIDKSVRHLYICDFHKNFIQSVRNKRKRKT |||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||| ..YGQSCCLIEDGERCVRPAGNASFSKRVQKSISQKKLKLDIDKSV.HLYICDFHKNFIQSVRNKRKRK ------30--------40--------50--------60--------70--------80--------90-
Dihedral angle restraints
------30--------40--------50--------60--------70--------80--------90-- GSYGQSCCLIEDGERCVRPAGNASFSKRVQKSISQKKLKLDIDKSVRHLYICDFHKNFIQSVRNKRKRKT |||||||||||| |||||||||||||||||||||||||||||||||||||||||||||| ....QSCCLIEDGERC..PAGNASFSKRVQKSISQKKLKLDIDKSVRHLYICDFHKNFIQSVRN ------30--------40--------50--------60--------70--------80------