NMR structure of the hypothetical protein BVU_0925 from Bacteroides vulgatus ATCC 8482
GHMGSPVSYY FSYADGGTSH TEYPDDSSAG SFILDITSYK KTGNSTKALS WNASGDSWIH VNGSSVSYDE NPAKERRTGL VTLKQDESGK TLSLKIVQPG KTSID
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.2 % (1014 of 1150) | 95.1 % (562 of 591) | 76.7 % (345 of 450) | 98.2 % (107 of 109) |
Backbone | 84.6 % (526 of 622) | 97.7 % (212 of 217) | 70.7 % (215 of 304) | 98.0 % (99 of 101) |
Sidechain | 93.4 % (581 of 622) | 93.6 % (350 of 374) | 92.9 % (223 of 240) | 100.0 % (8 of 8) |
Aromatic | 78.8 % (82 of 104) | 78.8 % (41 of 52) | 78.0 % (39 of 50) | 100.0 % (2 of 2) |
Methyl | 100.0 % (92 of 92) | 100.0 % (46 of 46) | 100.0 % (46 of 46) |
1. entity
GHMGSPVSYY FSYADGGTSH TEYPDDSSAG SFILDITSYK KTGNSTKALS WNASGDSWIH VNGSSVSYDE NPAKERRTGL VTLKQDESGK TLSLKIVQPG KTSIDSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
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 |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
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 |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_25027_2mqc.nef |
Input source #2: Coordindates | 2mqc.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-------100 GHMGSPVSYYFSYADGGTSHTEYPDDSSAGSFILDITSYKKTGNSTKALSWNASGDSWIHVNGSSVSYDENPAKERRTGLVTLKQDESGKTLSLKIVQPG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GHMGSPVSYYFSYADGGTSHTEYPDDSSAGSFILDITSYKKTGNSTKALSWNASGDSWIHVNGSSVSYDENPAKERRTGLVTLKQDESGKTLSLKIVQPG ----- KTSID ||||| KTSID
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 105 | 0 | 0 | 100.0 |
Content subtype: combined_25027_2mqc.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GHMGSPVSYYFSYADGGTSHTEYPDDSSAGSFILDITSYKKTGNSTKALSWNASGDSWIHVNGSSVSYDENPAKERRTGLVTLKQDESGKTLSLKIVQPG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .HMGSPVSYYFSYADGGTSHTEYPDDSSAGSFILDITSYKKTGNSTKALSWNASGDSWIHVNGSSVSYDENPAKERRTGLVTLKQDESGKTLSLKIVQPG ----- KTSID ||||| KTSID
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
60 | HIS | HD1 | 8.904 |
60 | HIS | ND1 | 218.986 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 591 | 559 | 94.6 |
13C chemical shifts | 450 | 324 | 72.0 |
15N chemical shifts | 111 | 106 | 95.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 217 | 211 | 97.2 |
13C chemical shifts | 210 | 102 | 48.6 |
15N chemical shifts | 101 | 98 | 97.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 374 | 348 | 93.0 |
13C chemical shifts | 240 | 222 | 92.5 |
15N chemical shifts | 10 | 8 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 47 | 47 | 100.0 |
13C chemical shifts | 47 | 47 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 52 | 41 | 78.8 |
13C chemical shifts | 50 | 39 | 78.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GHMGSPVSYYFSYADGGTSHTEYPDDSSAGSFILDITSYKKTGNSTKALSWNASGDSWIHVNGSSVSYDENPAKERRTGLVTLKQDESGKTLSLKIVQPG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...GSPVSYYFSYADGGTSHTEYPDDSSAGSFILDITSYKKTGNSTKALSWNASGDSWIHVNGSSVSYDENPAKERRTGLVTLKQDESGKTLSLKIVQPG ----- KTSID ||||| KTSID