Solution structure of AN1-type zinc finger domain from Cuz1 (Cdc48 associated ubiquitin-like/zinc-finger protein-1)
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 97.1 % (573 of 590) | 98.4 % (302 of 307) | 94.8 % (219 of 231) | 100.0 % (52 of 52) |
Backbone | 100.0 % (292 of 292) | 100.0 % (98 of 98) | 100.0 % (146 of 146) | 100.0 % (48 of 48) |
Sidechain | 95.1 % (329 of 346) | 97.6 % (204 of 209) | 91.0 % (121 of 133) | 100.0 % (4 of 4) |
Aromatic | 86.9 % (73 of 84) | 97.6 % (41 of 42) | 75.6 % (31 of 41) | 100.0 % (1 of 1) |
Methyl | 100.0 % (34 of 34) | 100.0 % (17 of 17) | 100.0 % (17 of 17) |
1. CDC48-associated ubiquitin-like/zinc finger protein 1
MLDVGKHCAY CRQLDFLPFH CSFCNEDFCS NHRLKEDHHC RWLLEHEEVSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM [U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 1 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | Tris | natural abundance | 5 mM | |
4 | ZnCl2 | natural abundance | 0.2 mM | |
5 | cuz1 | [U-100% 15N] | 1.0 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.85 mM cuz1, 5 mM [U-2H] Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM [U-2H] DTT, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | DTT | [U-2H] | 1 mM | |
16 | NaCl | natural abundance | 50 mM | |
17 | Tris | [U-2H] | 5 mM | |
18 | ZnCl2 | natural abundance | 0.2 mM | |
19 | cuz1 | natural abundance | 0.85 mM | |
20 | D2O | natural abundance | 100 % |
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 |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM [U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 1 mM | |
2 | NaCl | natural abundance | 50 mM | |
3 | Tris | natural abundance | 5 mM | |
4 | ZnCl2 | natural abundance | 0.2 mM | |
5 | cuz1 | [U-100% 15N] | 1.0 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 750 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.85 mM cuz1, 5 mM [U-2H] Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM [U-2H] DTT, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | DTT | [U-2H] | 1 mM | |
16 | NaCl | natural abundance | 50 mM | |
17 | Tris | [U-2H] | 5 mM | |
18 | ZnCl2 | natural abundance | 0.2 mM | |
19 | cuz1 | natural abundance | 0.85 mM | |
20 | D2O | natural abundance | 100 % |
Bruker AvanceIII - 750 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.85 mM cuz1, 5 mM [U-2H] Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM [U-2H] DTT, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | DTT | [U-2H] | 1 mM | |
16 | NaCl | natural abundance | 50 mM | |
17 | Tris | [U-2H] | 5 mM | |
18 | ZnCl2 | natural abundance | 0.2 mM | |
19 | cuz1 | natural abundance | 0.85 mM | |
20 | D2O | natural abundance | 100 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | DTT | natural abundance | 1 mM | |
9 | NaCl | natural abundance | 50 mM | |
10 | Tris | natural abundance | 5 mM | |
11 | ZnCl2 | natural abundance | 0.2 mM | |
12 | cuz1 | [U-100% 13C; U-100% 15N] | 0.7 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30030_5ij4.nef |
Input source #2: Coordindates | 5ij4.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) |
---|---|---|---|---|
1:8:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:11:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:21:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:24:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:29:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:32:HIS:ND1 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:38:HIS:NE2 | 2:2:ZN:ZN | unknown | unknown | n/a |
1:40: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 | Distance restraints |
B | 2 | ZN | ZINC ION | None |
Sequence alignments
--------20--------30--------40--------50--------- MLDVGKHCAYCRQLDFLPFHCSFCNEDFCSNHRLKEDHHCRWLLEHEEV ||||||||||||||||||||||||||||||||||||||||||||||||| MLDVGKHCAYCRQLDFLPFHCSFCNEDFCSNHRLKEDHHCRWLLEHEEV --------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_30030_5ij4.nef
Assigned chemical shifts
--------20--------30--------40--------50--------- MLDVGKHCAYCRQLDFLPFHCSFCNEDFCSNHRLKEDHHCRWLLEHEEV ||||||||||||||||||||||||||||||||||||||||||||||||| MLDVGKHCAYCRQLDFLPFHCSFCNEDFCSNHRLKEDHHCRWLLEHEEV
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
30 | HIS | ND1 | 178.714 |
30 | HIS | NE2 | 179.503 |
42 | HIS | ND1 | 217.721 |
42 | HIS | NE2 | 172.002 |
48 | HIS | HD1 | 10.436 |
48 | HIS | ND1 | 175.806 |
48 | HIS | NE2 | 215.747 |
49 | HIS | ND1 | 186.373 |
49 | HIS | NE2 | 177.845 |
56 | HIS | ND1 | 192.381 |
56 | HIS | NE2 | 176.266 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 307 | 302 | 98.4 |
13C chemical shifts | 231 | 219 | 94.8 |
15N chemical shifts | 55 | 52 | 94.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 98 | 98 | 100.0 |
13C chemical shifts | 98 | 98 | 100.0 |
15N chemical shifts | 48 | 48 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 209 | 204 | 97.6 |
13C chemical shifts | 133 | 121 | 91.0 |
15N chemical shifts | 7 | 4 | 57.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 18 | 17 | 94.4 |
13C chemical shifts | 18 | 17 | 94.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 41 | 97.6 |
13C chemical shifts | 41 | 31 | 75.6 |
15N chemical shifts | 1 | 1 | 100.0 |
Covalent bonds
Distance restraints
--------20--------30--------40--------50--------- MLDVGKHCAYCRQLDFLPFHCSFCNEDFCSNHRLKEDHHCRWLLEHEEV ||||||||||||||||||||||||||||||||||||||||||||||||| MLDVGKHCAYCRQLDFLPFHCSFCNEDFCSNHRLKEDHHCRWLLEHEEV
Dihedral angle restraints
--------20--------30--------40--------50--------- MLDVGKHCAYCRQLDFLPFHCSFCNEDFCSNHRLKEDHHCRWLLEHEEV |||||||||||| ||||||||||||||||||||||||||||| ....GKHCAYCRQLDF.PFHCSFCNEDFCSNHRLKEDHHCRWLLEH --------20--------30--------40--------50------