Metal Binding of Glutaredoxins
GPGSMVDVII YTRPGCPYCA RAKALLARKG AEFNEIDASA TPELRAEMQE RSGRNTFPQI FIGSVHVGGS DDLYALEDEG KLDSLLKTGK LI
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.4 % (928 of 1027) | 89.1 % (476 of 534) | 90.3 % (363 of 402) | 97.8 % (89 of 91) |
Backbone | 97.4 % (528 of 542) | 97.4 % (184 of 189) | 97.0 % (258 of 266) | 98.9 % (86 of 87) |
Sidechain | 83.1 % (471 of 567) | 83.2 % (287 of 345) | 83.0 % (181 of 218) | 75.0 % (3 of 4) |
Aromatic | 75.9 % (44 of 58) | 96.6 % (28 of 29) | 55.2 % (16 of 29) | |
Methyl | 91.2 % (93 of 102) | 92.2 % (47 of 51) | 90.2 % (46 of 51) |
1. Glutaredoxin
GPGSMVDVII YTRPGCPYCA RAKALLARKG AEFNEIDASA TPELRAEMQE RSGRNTFPQI FIGSVHVGGS DDLYALEDEG KLDSLLKTGK LISolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | 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 | 0.2514 |
1H | water | protons | 4.71 ppm | na | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514 |
1H | water | protons | 4.71 ppm | na | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514 |
1H | water | protons | 4.71 ppm | na | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514 |
1H | water | protons | 4.71 ppm | na | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013 |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Agilent INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Glutaredoxin | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | SILVER ION | natural abundance | 0.5 mM | |
3 | MES | natural abundance | 50 mM | |
4 | TCEP | natural abundance | 0.01 mM | |
5 | D2O | [U-99% 2H] | 5 % | |
6 | H2O | natural abundance | 95 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25483_2mzc.nef |
Input source #2: Coordindates | 2mzc.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) |
---|---|---|---|---|
2:16:CYS:SG | 3:1:AG:AG | unknown | unknown | n/a |
1:16:CYS:SG | 3:1:AG:AG | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
C | 1 | AG | SILVER ION | None |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- GPGSMVDVIIYTRPGCPYCARAKALLARKGAEFNEIDASATPELRAEMQERSGRNTFPQIFIGSVHVGGSDDLYALEDEGKLDSLLKTGKLI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPGSMVDVIIYTRPGCPYCARAKALLARKGAEFNEIDASATPELRAEMQERSGRNTFPQIFIGSVHVGGSDDLYALEDEGKLDSLLKTGKLI
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- GPGSMVDVIIYTRPGCPYCARAKALLARKGAEFNEIDASATPELRAEMQERSGRNTFPQIFIGSVHVGGSDDLYALEDEGKLDSLLKTGKLI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPGSMVDVIIYTRPGCPYCARAKALLARKGAEFNEIDASATPELRAEMQERSGRNTFPQIFIGSVHVGGSDDLYALEDEGKLDSLLKTGKLI
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 92 | 0 | 0 | 100.0 |
B | B | 92 | 0 | 0 | 100.0 |
Content subtype: combined_25483_2mzc.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- GPGSMVDVIIYTRPGCPYCARAKALLARKGAEFNEIDASATPELRAEMQERSGRNTFPQIFIGSVHVGGSDDLYALEDEGKLDSLLKTGKLI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..GSMVDVIIYTRPGCPYCARAKALLARKGAEFNEIDASATPELRAEMQERSGRNTFPQIFIGSVHVGGSDDLYALEDEGKLDSLLKTGKLI
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 534 | 481 | 90.1 |
13C chemical shifts | 402 | 361 | 89.8 |
15N chemical shifts | 97 | 88 | 90.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 189 | 183 | 96.8 |
13C chemical shifts | 184 | 176 | 95.7 |
15N chemical shifts | 87 | 85 | 97.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 345 | 298 | 86.4 |
13C chemical shifts | 218 | 185 | 84.9 |
15N chemical shifts | 10 | 3 | 30.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 53 | 50 | 94.3 |
13C chemical shifts | 53 | 48 | 90.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 29 | 28 | 96.6 |
13C chemical shifts | 29 | 16 | 55.2 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- GPGSMVDVIIYTRPGCPYCARAKALLARKGAEFNEIDASATPELRAEMQERSGRNTFPQIFIGSVHVGGSDDLYALEDEGKLDSLLKTGKLI |||||||||| |||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||| ...SMVDVIIYTR.GCPYCARAKALLARKGAEFNEIDASATPELRAEMQERS.RNTFPQIFIGSVHVGGSDDLYALEDEGKLDSLLKTGKLI
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- GPGSMVDVIIYTRPGCPYCARAKALLARKGAEFNEIDASATPELRAEMQERSGRNTFPQIFIGSVHVGGSDDLYALEDEGKLDSLLKTGKLI ||||| ||||||||||||||||||||| ||||||||||| ||||| |||| |||||||||||||||||||| .......VIIYT......CARAKALLARKGAEFNEIDAS..PELRAEMQERS.....PQIFI.SVHV.GSDDLYALEDEGKLDSLLKT --------10--------20--------30--------40--------50--------60--------70--------80--------