ASHH2 a CW domain
GSRRASVGSE FMVVDVTIED SYSTESAWVR CDDCFKWRRI PASVVGSIDE SSRWICMNNS DKRFADCSKS QEMSNEEINE ELGIGQDEAD AYDCDAAKRG
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 1:CYS31:SG | 2:ZN1:ZN |
2 | na | sing | 1:CYS34:SG | 2:ZN1:ZN |
3 | na | sing | 1:CYS56:SG | 2:ZN1:ZN |
4 | na | sing | 1:CYS67:SG | 2:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.7 % (1056 of 1092) | 97.9 % (555 of 567) | 94.7 % (395 of 417) | 98.1 % (106 of 108) |
Backbone | 98.5 % (589 of 598) | 98.0 % (201 of 205) | 99.0 % (291 of 294) | 98.0 % (97 of 99) |
Sidechain | 95.4 % (561 of 588) | 97.8 % (354 of 362) | 91.2 % (198 of 217) | 100.0 % (9 of 9) |
Aromatic | 79.3 % (65 of 82) | 92.7 % (38 of 41) | 63.2 % (24 of 38) | 100.0 % (3 of 3) |
Methyl | 98.7 % (75 of 76) | 100.0 % (38 of 38) | 97.4 % (37 of 38) |
1. entity 1
GSRRASVGSE FMVVDVTIED SYSTESAWVR CDDCFKWRRI PASVVGSIDE SSRWICMNNS DKRFADCSKS QEMSNEEINE ELGIGQDEAD AYDCDAAKRGSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-98% 13C; U-98% 15N] | 0.8 mM | |
2 | ZINC ION | natural abundance | 10 uM | |
3 | DSS | natural abundance | 0.2 mM | |
4 | DTT | natural abundance | 1.0 mM | |
5 | potassium phosphate | natural abundance | 20 mM | |
6 | potassium chloride | natural abundance | 50 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17365_2l7p.nef |
Input source #2: Coordindates | 2l7p.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) |
---|---|---|---|---|
1:56:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:67:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:34:CYS:SG | 2:1: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 | None |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSRRASVGSEFMVVDVTIEDSYSTESAWVRCDDCFKWRRIPASVVGSIDESSRWICMNNSDKRFADCSKSQEMSNEEINEELGIGQDEADAYDCDAAKRG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSRRASVGSEFMVVDVTIEDSYSTESAWVRCDDCFKWRRIPASVVGSIDESSRWICMNNSDKRFADCSKSQEMSNEEINEELGIGQDEADAYDCDAAKRG
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 100 | 0 | 0 | 100.0 |
Content subtype: combined_17365_2l7p.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSRRASVGSEFMVVDVTIEDSYSTESAWVRCDDCFKWRRIPASVVGSIDESSRWICMNNSDKRFADCSKSQEMSNEEINEELGIGQDEADAYDCDAAKRG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SRRASVGSEFMVVDVTIEDSYSTESAWVRCDDCFKWRRIPASVVGSIDESSRWICMNNSDKRFADCSKSQEMSNEEINEELGIGQDEADAYDCDAAKRG
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
79 | ASN | CG | 173.581 |
86 | GLN | CD | 180.46 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 567 | 555 | 97.9 |
13C chemical shifts | 417 | 393 | 94.2 |
15N chemical shifts | 116 | 109 | 94.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 205 | 201 | 98.0 |
13C chemical shifts | 200 | 195 | 97.5 |
15N chemical shifts | 99 | 97 | 98.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 362 | 354 | 97.8 |
13C chemical shifts | 217 | 198 | 91.2 |
15N chemical shifts | 17 | 12 | 70.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 41 | 41 | 100.0 |
13C chemical shifts | 41 | 40 | 97.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 41 | 38 | 92.7 |
13C chemical shifts | 38 | 24 | 63.2 |
15N chemical shifts | 3 | 3 | 100.0 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSRRASVGSEFMVVDVTIEDSYSTESAWVRCDDCFKWRRIPASVVGSIDESSRWICMNNSDKRFADCSKSQEMSNEEINEELGIGQDEADAYDCDAAKRG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..RRASVGSEFMVVDVTIEDSYSTESAWVRCDDCFKWRRIPASVVGSIDESSRWICMNNSDKRFADCSKSQEMSNEEINEELGIGQDEADAYDCDAAKRG
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSRRASVGSEFMVVDVTIEDSYSTESAWVRCDDCFKWRRIPASVVGSIDESSRWICMNNSDKRFADCSKSQEMSNEEINEELGIGQDEADAYDCDAAKRG ||||||| |||||||||||| ||| ||||||| ||| ||| |||||||||||||| ||| |||| ........................ESAWVRC....KWRRIPASVVGS.DES..WICMNNS.KRF.DCS..QEMSNEEINEELGI..DEA.....DAAK --------10--------20--------30--------40--------50--------60--------70--------80--------90--------