Solution structure of MapZ extracellular domain first subdomain
GHMQVARSTK EIETSQSTTA NQSDVDDFNT LYDAFYTNSN KTALKNSQFD KLSQLKTLLD KLEGSREHTL AKSKYDSLAT QIKAIQDVNA QFEKPAIVDG VLDTNAKAKS DAKFTDIKTG NTELDKVLDK AISLG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.2 % (1406 of 1542) | 88.3 % (705 of 798) | 94.4 % (561 of 594) | 93.3 % (140 of 150) |
Backbone | 94.2 % (761 of 808) | 91.6 % (251 of 274) | 96.0 % (384 of 400) | 94.0 % (126 of 134) |
Sidechain | 89.2 % (771 of 864) | 86.6 % (454 of 524) | 93.5 % (303 of 324) | 87.5 % (14 of 16) |
Aromatic | 95.1 % (78 of 82) | 95.1 % (39 of 41) | 95.1 % (39 of 41) | |
Methyl | 96.8 % (149 of 154) | 96.1 % (74 of 77) | 97.4 % (75 of 77) |
1. MapZ QG
GHMQVARSTK EIETSQSTTA NQSDVDDFNT LYDAFYTNSN KTALKNSQFD KLSQLKTLLD KLEGSREHTL AKSKYDSLAT QIKAIQDVNA QFEKPAIVDG VLDTNAKAKS DAKFTDIKTG NTELDKVLDK AISLGSolvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
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 | external | 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 | external | 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 | external | 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 | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker Avance - 950 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra1 | [U-100% 13C; U-100% 15N] | 2.0 mM | |
2 | Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_26052_2nd9.nef |
Input source #2: Coordindates | 2nd9.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 GHMQVARSTKEIETSQSTTANQSDVDDFNTLYDAFYTNSNKTALKNSQFDKLSQLKTLLDKLEGSREHTLAKSKYDSLATQIKAIQDVNAQFEKPAIVDG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GHMQVARSTKEIETSQSTTANQSDVDDFNTLYDAFYTNSNKTALKNSQFDKLSQLKTLLDKLEGSREHTLAKSKYDSLATQIKAIQDVNAQFEKPAIVDG -------110-------120-------130----- VLDTNAKAKSDAKFTDIKTGNTELDKVLDKAISLG ||||||||||||||||||||||||||||||||||| VLDTNAKAKSDAKFTDIKTGNTELDKVLDKAISLG
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 135 | 0 | 0 | 100.0 |
Content subtype: combined_26052_2nd9.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GHMQVARSTKEIETSQSTTANQSDVDDFNTLYDAFYTNSNKTALKNSQFDKLSQLKTLLDKLEGSREHTLAKSKYDSLATQIKAIQDVNAQFEKPAIVDG ||| |||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....VAR.TKEIET.QSTTANQSDVDDFNTLYDAFYTNSNKTALKNSQFDKLSQLKTLLDKLEGSREHTLAKSKYDSLATQIKAIQDVNAQFEKPAIVDG -------110-------120-------130----- VLDTNAKAKSDAKFTDIKTGNTELDKVLDKAISLG ||||||||||||||||||||||||||||||||||| VLDTNAKAKSDAKFTDIKTGNTELDKVLDKAISLG
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 594 | 557 | 93.8 |
1H chemical shifts | 798 | 697 | 87.3 |
15N chemical shifts | 152 | 137 | 90.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 270 | 258 | 95.6 |
1H chemical shifts | 274 | 251 | 91.6 |
15N chemical shifts | 134 | 123 | 91.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 324 | 299 | 92.3 |
1H chemical shifts | 524 | 446 | 85.1 |
15N chemical shifts | 18 | 14 | 77.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 78 | 75 | 96.2 |
1H chemical shifts | 78 | 72 | 92.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 41 | 39 | 95.1 |
1H chemical shifts | 41 | 39 | 95.1 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GHMQVARSTKEIETSQSTTANQSDVDDFNTLYDAFYTNSNKTALKNSQFDKLSQLKTLLDKLEGSREHTLAKSKYDSLATQIKAIQDVNAQFEKPAIVDG || |||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....AR.TKEIET.QSTTANQSDVDDFNTLYDAFYTNSNKTALKNSQFDKLSQLKTLLDKLEGSREHTLAKSKYDSLATQIKAIQDVNAQFEKPAIVDG -------110-------120-------130----- VLDTNAKAKSDAKFTDIKTGNTELDKVLDKAISLG ||||||||||||||||||||||||||||||||||| VLDTNAKAKSDAKFTDIKTGNTELDKVLDKAISLG
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GHMQVARSTKEIETSQSTTANQSDVDDFNTLYDAFYTNSNKTALKNSQFDKLSQLKTLLDKLEGSREHTLAKSKYDSLATQIKAIQDVNAQFEKPAIVDG ||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....ARS............NQSDVDDFNTLYDAFYTNSNKTALKNSQFDKLSQLKTLLDKLEGSREHTLAKSKYDSLATQIKAIQDVNAQFEKPAIVDG -------110-------120-------130----- VLDTNAKAKSDAKFTDIKTGNTELDKVLDKAISLG ||||||||||||||||||||||||||||||||||| VLDTNAKAKSDAKFTDIKTGNTELDKVLDKAISLG