An arsenate reductase
GSHMKKVMFV CKRNSCRSQM AEGFAKTLGA GKIAVTSCGL ESSRVHPTAI AMMEEVGIDI SGQTSDPIEN FNADDYDVVI SLCGCGVNLP PEWVTQEIFE DWQLEDPDGQ SLEVFRTVRG QVKERVENLI AKIS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.8 % (1371 of 1510) | 88.1 % (690 of 783) | 92.8 % (543 of 585) | 97.2 % (138 of 142) |
Backbone | 96.0 % (762 of 794) | 94.9 % (260 of 274) | 96.4 % (377 of 391) | 96.9 % (125 of 129) |
Sidechain | 86.8 % (728 of 839) | 84.5 % (430 of 509) | 89.9 % (285 of 317) | 100.0 % (13 of 13) |
Aromatic | 57.8 % (52 of 90) | 60.0 % (27 of 45) | 53.5 % (23 of 43) | 100.0 % (2 of 2) |
Methyl | 94.4 % (136 of 144) | 93.1 % (67 of 72) | 95.8 % (69 of 72) |
1. SynArsC
GSHMKKVMFV CKRNSCRSQM AEGFAKTLGA GKIAVTSCGL ESSRVHPTAI AMMEEVGIDI SGQTSDPIEN FNADDYDVVI SLCGCGVNLP PEWVTQEIFE DWQLEDPDGQ SLEVFRTVRG QVKERVENLI AKISSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SynArsC | [U-15N] | 1 mM | |
2 | DSS | natural abundance | 0.01 % | |
3 | sodium azide | natural abundance | 0.01 % | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | sodium phosphate | natural abundance | 50 mM | |
6 | DTT | natural abundance | 40 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
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 | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 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 | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 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 | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 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 | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SynArsC | [U-15N] | 1 mM | |
2 | DSS | natural abundance | 0.01 % | |
3 | sodium azide | natural abundance | 0.01 % | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | sodium phosphate | natural abundance | 50 mM | |
6 | DTT | natural abundance | 40 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SynArsC | [U-15N] | 1 mM | |
2 | DSS | natural abundance | 0.01 % | |
3 | sodium azide | natural abundance | 0.01 % | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | sodium phosphate | natural abundance | 50 mM | |
6 | DTT | natural abundance | 40 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance - 500 MHz with cryo-probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | SynArsC | [U-13C; U-15N] | 1 mM | |
10 | DSS | natural abundance | 0.01 % | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | sodium chloride | natural abundance | 50 mM | |
13 | sodium phosphate | natural abundance | 50 mM | |
14 | DTT | natural abundance | 40 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_17074_2myp.nef |
Input source #2: Coordindates | 2myp.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 | None |
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)
NoneNon-standard residues
NoneSequence alignments
-----------10--------20--------30--------40--------50--------60--------70--------80--------90------- GSHMKKVMFVCKRNSCRSQMAEGFAKTLGAGKIAVTSCGLESSRVHPTAIAMMEEVGIDISGQTSDPIENFNADDYDVVISLCGCGVNLPPEWVTQEIFE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSHMKKVMFVCKRNSCRSQMAEGFAKTLGAGKIAVTSCGLESSRVHPTAIAMMEEVGIDISGQTSDPIENFNADDYDVVISLCGCGVNLPPEWVTQEIFE --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 100-------110-------120-------130- DWQLEDPDGQSLEVFRTVRGQVKERVENLIAKIS |||||||||||||||||||||||||||||||||| DWQLEDPDGQSLEVFRTVRGQVKERVENLIAKIS -------110-------120-------130----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 134 | 0 | 0 | 100.0 |
Content subtype: combined_17074_2myp.nef
Assigned chemical shifts
-----------10--------20--------30--------40--------50--------60--------70--------80--------90------- GSHMKKVMFVCKRNSCRSQMAEGFAKTLGAGKIAVTSCGLESSRVHPTAIAMMEEVGIDISGQTSDPIENFNADDYDVVISLCGCGVNLPPEWVTQEIFE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||| ...MKKVMFVCKRNSCRSQMAEGFAKTLGAGKIAVTSCGLESSRVHPTAIAMMEEVGIDISGQTSDPIENFNADDYDVVISLCGCGVNL.PEWVTQEIFE 100-------110-------120-------130- DWQLEDPDGQSLEVFRTVRGQVKERVENLIAKIS |||||||||||||||||||||||||||||||||| DWQLEDPDGQSLEVFRTVRGQVKERVENLIAKIS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 783 | 697 | 89.0 |
13C chemical shifts | 585 | 541 | 92.5 |
15N chemical shifts | 148 | 137 | 92.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 274 | 264 | 96.4 |
13C chemical shifts | 268 | 258 | 96.3 |
15N chemical shifts | 129 | 124 | 96.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 509 | 433 | 85.1 |
13C chemical shifts | 317 | 283 | 89.3 |
15N chemical shifts | 19 | 13 | 68.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 77 | 74 | 96.1 |
13C chemical shifts | 77 | 74 | 96.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 23 | 51.1 |
13C chemical shifts | 43 | 20 | 46.5 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
-----------10--------20--------30--------40--------50--------60--------70--------80--------90------- GSHMKKVMFVCKRNSCRSQMAEGFAKTLGAGKIAVTSCGLESSRVHPTAIAMMEEVGIDISGQTSDPIENFNADDYDVVISLCGCGVNLPPEWVTQEIFE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||| ...MKKVMFVCKRNSCRSQMAEGFAKTLGAGKIAVTSCGLESSRVHPTAIAMMEEVGIDISGQTSDPIENFNADDYDVVISLCGCGVNL.PEWVTQEIFE 100-------110-------120-------130- DWQLEDPDGQSLEVFRTVRGQVKERVENLIAKIS |||||||||||||||||||||||||||||||||| DWQLEDPDGQSLEVFRTVRGQVKERVENLIAKIS