Zn finger protein YBIL from E.Coli; NESG target ET107; OCSP target EC0402
MGSSHHHHHH SSGLVPRGSH MASGWANDDA VNEQINSTIE DAIARARGEI PRGESLDECE ECGAPIPQAR REAIPGVRLC IHCQQEKDLQ KPAYTGYNRR GSKDSQLR
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 80.6 % (953 of 1183) | 80.6 % (502 of 623) | 79.6 % (356 of 447) | 84.1 % (95 of 113) |
Backbone | 80.2 % (510 of 636) | 80.5 % (177 of 220) | 79.3 % (249 of 314) | 82.4 % (84 of 102) |
Sidechain | 81.2 % (524 of 645) | 80.6 % (325 of 403) | 81.4 % (188 of 231) | 100.0 % (11 of 11) |
Aromatic | 53.3 % (32 of 60) | 53.3 % (16 of 30) | 51.7 % (15 of 29) | 100.0 % (1 of 1) |
Methyl | 92.9 % (78 of 84) | 92.9 % (39 of 42) | 92.9 % (39 of 42) |
1. YBIL
MGSSHHHHHH SSGLVPRGSH MASGWANDDA VNEQINSTIE DAIARARGEI PRGESLDECE ECGAPIPQAR REAIPGVRLC IHCQQEKDLQ KPAYTGYNRR GSKDSQLRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | 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 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.7 ~ 1.0 mM | |
2 | Zn sulfate | natural abundance | 10 uM | |
3 | DTT | [U-2H] | 10 mM | |
4 | TRIS | [U-2H] | 10 mM | |
5 | sodium chloride | natural abundance | 300 mM | |
6 | sodium azide | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | Roche inhibitor | natural abundance | 1 na | |
9 | H20 | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16214_2kgo.nef |
Input source #2: Coordindates | 2kgo.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 (Ã…) |
---|---|---|---|---|
1:59:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:62:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:80:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:83: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 MGSSHHHHHHSSGLVPRGSHMASGWANDDAVNEQINSTIEDAIARARGEIPRGESLDECEECGAPIPQARREAIPGVRLCIHCQQEKDLQKPAYTGYNRR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGSSHHHHHHSSGLVPRGSHMASGWANDDAVNEQINSTIEDAIARARGEIPRGESLDECEECGAPIPQARREAIPGVRLCIHCQQEKDLQKPAYTGYNRR -------- GSKDSQLR |||||||| GSKDSQLR
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 108 | 0 | 0 | 100.0 |
Content subtype: combined_16214_2kgo.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGSSHHHHHHSSGLVPRGSHMASGWANDDAVNEQINSTIEDAIARARGEIPRGESLDECEECGAPIPQARREAIPGVRLCIHCQQEKDLQKPAYTGYNRR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....................MASGWANDDAVNEQINSTIEDAIARARGEIPRGESLDECEECGAPIPQARREAIPGVRLCIHCQQEKDLQKPAYTGYNRR -------- GSKDSQLR |||||||| GSKDSQLR
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 623 | 497 | 79.8 |
13C chemical shifts | 447 | 349 | 78.1 |
15N chemical shifts | 123 | 91 | 74.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 220 | 174 | 79.1 |
13C chemical shifts | 216 | 164 | 75.9 |
15N chemical shifts | 102 | 80 | 78.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 403 | 323 | 80.1 |
13C chemical shifts | 231 | 185 | 80.1 |
15N chemical shifts | 21 | 11 | 52.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 44 | 38 | 86.4 |
13C chemical shifts | 44 | 38 | 86.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 30 | 16 | 53.3 |
13C chemical shifts | 29 | 15 | 51.7 |
15N chemical shifts | 1 | 1 | 100.0 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGSSHHHHHHSSGLVPRGSHMASGWANDDAVNEQINSTIEDAIARARGEIPRGESLDECEECGAPIPQARREAIPGVRLCIHCQQEKDLQKPAYTGYNRR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....................MASGWANDDAVNEQINSTIEDAIARARGEIPRGESLDECEECGAPIPQARREAIPGVRLCIHCQQEKDLQKPAYTGYNRR -------- GSKDSQLR ||||||| .SKDSQLR
Dihedral angle restraints