NMR resonance assignment of the UUP protein C-terminal domain
GSHMGQQEQY VALKQPAVKK TEEAAAAKAE TVKRSSSKLS YKLQRELEQL PQLLEDLEAK LEALQTQVAD ASFFSQPHEQ TQKVLADMAA AEQELEQAFE RWEYLEALKN GG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 94.2 % (1240 of 1316) | 94.2 % (651 of 691) | 95.2 % (476 of 500) | 90.4 % (113 of 125) |
Backbone | 94.6 % (630 of 666) | 93.8 % (211 of 225) | 95.5 % (317 of 332) | 93.6 % (102 of 109) |
Sidechain | 94.3 % (715 of 758) | 94.4 % (440 of 466) | 95.7 % (264 of 276) | 68.8 % (11 of 16) |
Aromatic | 89.2 % (66 of 74) | 94.6 % (35 of 37) | 83.3 % (30 of 36) | 100.0 % (1 of 1) |
Methyl | 100.0 % (118 of 118) | 100.0 % (59 of 59) | 100.0 % (59 of 59) |
1. UUP
GSHMGQQEQY VALKQPAVKK TEEAAAAKAE TVKRSSSKLS YKLQRELEQL PQLLEDLEAK LEALQTQVAD ASFFSQPHEQ TQKVLADMAA AEQELEQAFE RWEYLEALKN GGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UUP | [U-100% 15N] | 0.7 mM | |
2 | sodium chloride | natural abundance | 170 mM | |
3 | sodium phosphate | natural abundance | 30 mM | |
4 | DSS | natural abundance | 0.111 mM | |
5 | leupeptine | natural abundance | 1 uM | |
6 | pepstatine | natural abundance | 1 uM | |
7 | sodium azide | natural abundance | 0.02 % | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | UUP | [U-100% 13C; U-100% 15N] | 0.9 mM | |
11 | sodium chloride | natural abundance | 170 mM | |
12 | sodium phosphate | natural abundance | 30 mM | |
13 | DSS | natural abundance | 0.111 mM | |
14 | leupeptine | natural abundance | 1 uM | |
15 | pepstatine A | natural abundance | 1 uM | |
16 | sodium azide | natural abundance | 0.02 % | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample in D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | UUP | [U-100% 13C; U-100% 15N] | 0.8 mM | |
20 | sodium chloride | natural abundance | 170 mM | |
21 | sodium phosphate | natural abundance | 30 mM | |
22 | leupeptine | natural abundance | 1 uM | |
23 | pepstatine A | natural abundance | 1 uM | |
24 | sodium azide | natural abundance | 0.02 % | |
25 | 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 |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UUP | [U-100% 15N] | 0.7 mM | |
2 | sodium chloride | natural abundance | 170 mM | |
3 | sodium phosphate | natural abundance | 30 mM | |
4 | DSS | natural abundance | 0.111 mM | |
5 | leupeptine | natural abundance | 1 uM | |
6 | pepstatine | natural abundance | 1 uM | |
7 | sodium azide | natural abundance | 0.02 % | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UUP | [U-100% 15N] | 0.7 mM | |
2 | sodium chloride | natural abundance | 170 mM | |
3 | sodium phosphate | natural abundance | 30 mM | |
4 | DSS | natural abundance | 0.111 mM | |
5 | leupeptine | natural abundance | 1 uM | |
6 | pepstatine | natural abundance | 1 uM | |
7 | sodium azide | natural abundance | 0.02 % | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | UUP | [U-100% 13C; U-100% 15N] | 0.9 mM | |
11 | sodium chloride | natural abundance | 170 mM | |
12 | sodium phosphate | natural abundance | 30 mM | |
13 | DSS | natural abundance | 0.111 mM | |
14 | leupeptine | natural abundance | 1 uM | |
15 | pepstatine A | natural abundance | 1 uM | |
16 | sodium azide | natural abundance | 0.02 % | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | UUP | [U-100% 13C; U-100% 15N] | 0.9 mM | |
11 | sodium chloride | natural abundance | 170 mM | |
12 | sodium phosphate | natural abundance | 30 mM | |
13 | DSS | natural abundance | 0.111 mM | |
14 | leupeptine | natural abundance | 1 uM | |
15 | pepstatine A | natural abundance | 1 uM | |
16 | sodium azide | natural abundance | 0.02 % | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | UUP | [U-100% 13C; U-100% 15N] | 0.9 mM | |
11 | sodium chloride | natural abundance | 170 mM | |
12 | sodium phosphate | natural abundance | 30 mM | |
13 | DSS | natural abundance | 0.111 mM | |
14 | leupeptine | natural abundance | 1 uM | |
15 | pepstatine A | natural abundance | 1 uM | |
16 | sodium azide | natural abundance | 0.02 % | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | UUP | [U-100% 13C; U-100% 15N] | 0.9 mM | |
11 | sodium chloride | natural abundance | 170 mM | |
12 | sodium phosphate | natural abundance | 30 mM | |
13 | DSS | natural abundance | 0.111 mM | |
14 | leupeptine | natural abundance | 1 uM | |
15 | pepstatine A | natural abundance | 1 uM | |
16 | sodium azide | natural abundance | 0.02 % | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | UUP | [U-100% 13C; U-100% 15N] | 0.9 mM | |
11 | sodium chloride | natural abundance | 170 mM | |
12 | sodium phosphate | natural abundance | 30 mM | |
13 | DSS | natural abundance | 0.111 mM | |
14 | leupeptine | natural abundance | 1 uM | |
15 | pepstatine A | natural abundance | 1 uM | |
16 | sodium azide | natural abundance | 0.02 % | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | UUP | [U-100% 13C; U-100% 15N] | 0.9 mM | |
11 | sodium chloride | natural abundance | 170 mM | |
12 | sodium phosphate | natural abundance | 30 mM | |
13 | DSS | natural abundance | 0.111 mM | |
14 | leupeptine | natural abundance | 1 uM | |
15 | pepstatine A | natural abundance | 1 uM | |
16 | sodium azide | natural abundance | 0.02 % | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample in D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | UUP | [U-100% 13C; U-100% 15N] | 0.8 mM | |
20 | sodium chloride | natural abundance | 170 mM | |
21 | sodium phosphate | natural abundance | 30 mM | |
22 | leupeptine | natural abundance | 1 uM | |
23 | pepstatine A | natural abundance | 1 uM | |
24 | sodium azide | natural abundance | 0.02 % | |
25 | D2O | natural abundance | 100 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | UUP | [U-100% 13C; U-100% 15N] | 0.9 mM | |
11 | sodium chloride | natural abundance | 170 mM | |
12 | sodium phosphate | natural abundance | 30 mM | |
13 | DSS | natural abundance | 0.111 mM | |
14 | leupeptine | natural abundance | 1 uM | |
15 | pepstatine A | natural abundance | 1 uM | |
16 | sodium azide | natural abundance | 0.02 % | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | UUP | [U-100% 13C; U-100% 15N] | 0.9 mM | |
11 | sodium chloride | natural abundance | 170 mM | |
12 | sodium phosphate | natural abundance | 30 mM | |
13 | DSS | natural abundance | 0.111 mM | |
14 | leupeptine | natural abundance | 1 uM | |
15 | pepstatine A | natural abundance | 1 uM | |
16 | sodium azide | natural abundance | 0.02 % | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
Bruker Avance III - 500 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample in D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | UUP | [U-100% 13C; U-100% 15N] | 0.8 mM | |
20 | sodium chloride | natural abundance | 170 mM | |
21 | sodium phosphate | natural abundance | 30 mM | |
22 | leupeptine | natural abundance | 1 uM | |
23 | pepstatine A | natural abundance | 1 uM | |
24 | sodium azide | natural abundance | 0.02 % | |
25 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N labeled sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | UUP | [U-100% 15N] | 0.7 mM | |
2 | sodium chloride | natural abundance | 170 mM | |
3 | sodium phosphate | natural abundance | 30 mM | |
4 | DSS | natural abundance | 0.111 mM | |
5 | leupeptine | natural abundance | 1 uM | |
6 | pepstatine | natural abundance | 1 uM | |
7 | sodium azide | natural abundance | 0.02 % | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample in D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | UUP | [U-100% 13C; U-100% 15N] | 0.8 mM | |
20 | sodium chloride | natural abundance | 170 mM | |
21 | sodium phosphate | natural abundance | 30 mM | |
22 | leupeptine | natural abundance | 1 uM | |
23 | pepstatine A | natural abundance | 1 uM | |
24 | sodium azide | natural abundance | 0.02 % | |
25 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz Equipped with a cryogenic probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details Uniformly 15N/13C double labeled sample in D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | UUP | [U-100% 13C; U-100% 15N] | 0.8 mM | |
20 | sodium chloride | natural abundance | 170 mM | |
21 | sodium phosphate | natural abundance | 30 mM | |
22 | leupeptine | natural abundance | 1 uM | |
23 | pepstatine A | natural abundance | 1 uM | |
24 | sodium azide | natural abundance | 0.02 % | |
25 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17989_2lw1.nef |
Input source #2: Coordindates | 2lw1.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
--530-----540-------550-------560-------570-------580-------590-------600-------610-------620------- GQQEQYVALKQPAVKKTEEAAAAKAETVKRSSSKLSYKLQRELEQLPQLLEDLEAKLEALQTQVADASFFSQPHEQTQKVLADMAAAEQELEQAFERWEY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GQQEQYVALKQPAVKKTEEAAAAKAETVKRSSSKLSYKLQRELEQLPQLLEDLEAKLEALQTQVADASFFSQPHEQTQKVLADMAAAEQELEQAFERWEY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 630----- LEALKNGG |||||||| LEALKNGG --------
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_17989_2lw1.nef
Assigned chemical shifts
--530-----540-------550-------560-------570-------580-------590-------600-------610-------620------- GQQEQYVALKQPAVKKTEEAAAAKAETVKRSSSKLSYKLQRELEQLPQLLEDLEAKLEALQTQVADASFFSQPHEQTQKVLADMAAAEQELEQAFERWEY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GQQEQYVALKQPAVKKTEEAAAAKAETVKRSSSKLSYKLQRELEQLPQLLEDLEAKLEALQTQVADASFFSQPHEQTQKVLADMAAAEQELEQAFERWEY 630----- LEALKNGG |||||||| LEALKNGG
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 671 | 651 | 97.0 |
13C chemical shifts | 485 | 478 | 98.6 |
15N chemical shifts | 124 | 113 | 91.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 216 | 213 | 98.6 |
13C chemical shifts | 216 | 214 | 99.1 |
15N chemical shifts | 105 | 102 | 97.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 455 | 438 | 96.3 |
13C chemical shifts | 269 | 264 | 98.1 |
15N chemical shifts | 19 | 11 | 57.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 60 | 60 | 100.0 |
13C chemical shifts | 60 | 60 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 31 | 88.6 |
13C chemical shifts | 34 | 30 | 88.2 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--530-----540-------550-------560-------570-------580-------590-------600-------610-------620------- GQQEQYVALKQPAVKKTEEAAAAKAETVKRSSSKLSYKLQRELEQLPQLLEDLEAKLEALQTQVADASFFSQPHEQTQKVLADMAAAEQELEQAFERWEY ||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .......................KAETVKR...KLSYKLQRELEQLPQLLEDLEAKLEALQTQVADASFFSQPHEQTQKVLADMAAAEQELEQAFERWEY 630----- LEALKNGG |||||||| LEALKNGG
Dihedral angle restraints
--530-----540-------550-------560-------570-------580-------590-------600-------610-------620------- GQQEQYVALKQPAVKKTEEAAAAKAETVKRSSSKLSYKLQRELEQLPQLLEDLEAKLEALQTQVADASFFSQPHEQTQKVLADMAAAEQELEQAFERWEY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..................................LSYKLQRELEQLPQLLEDLEAKLEALQTQVADASFFSQPHEQTQKVLADMAAAEQELEQAFERWEY 630----- LEALKNGG |||||||| LEALKNGG