Solution structure of MapZ extracellular domain second subdomain
GHMSRSEVNM GLSSAGVAVQ RSASRVAYNQ SAIDDSNNSA WDFADGVLEQ ILATSRSRGY ITGDQYILER VNIVNGNGYY NLYKPDGTYL FTLNCKTGYF VGNGAGHADD LDY
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.3 % (1102 of 1234) | 89.2 % (562 of 630) | 89.3 % (426 of 477) | 89.8 % (114 of 127) |
Backbone | 91.7 % (620 of 676) | 89.5 % (213 of 238) | 94.5 % (308 of 326) | 88.4 % (99 of 112) |
Sidechain | 87.5 % (576 of 658) | 89.0 % (349 of 392) | 84.5 % (212 of 251) | 100.0 % (15 of 15) |
Aromatic | 59.0 % (72 of 122) | 67.2 % (41 of 61) | 50.0 % (30 of 60) | 100.0 % (1 of 1) |
Methyl | 99.1 % (113 of 114) | 98.2 % (56 of 57) | 100.0 % (57 of 57) |
1. MapZ SY
GHMSRSEVNM GLSSAGVAVQ RSASRVAYNQ SAIDDSNNSA WDFADGVLEQ ILATSRSRGY ITGDQYILER VNIVNGNGYY NLYKPDGTYL FTLNCKTGYF VGNGAGHADD LDYSolvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MapZ_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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 - 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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 - 600 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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 - 600 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_extra2 | [U-100% 13C; U-100% 15N] | 2.5 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_26053_2nda.nef |
Input source #2: Coordindates | 2nda.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 GHMSRSEVNMGLSSAGVAVQRSASRVAYNQSAIDDSNNSAWDFADGVLEQILATSRSRGYITGDQYILERVNIVNGNGYYNLYKPDGTYLFTLNCKTGYF |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GHMSRSEVNMGLSSAGVAVQRSASRVAYNQSAIDDSNNSAWDFADGVLEQILATSRSRGYITGDQYILERVNIVNGNGYYNLYKPDGTYLFTLNCKTGYF -------110--- VGNGAGHADDLDY ||||||||||||| VGNGAGHADDLDY
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 113 | 0 | 0 | 100.0 |
Content subtype: combined_26053_2nda.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GHMSRSEVNMGLSSAGVAVQRSASRVAYNQSAIDDSNNSAWDFADGVLEQILATSRSRGYITGDQYILERVNIVNGNGYYNLYKPDGTYLFTLNCKTGYF | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..M..SEVNMGLSSAGVAVQRSASRVAYNQSAIDDSNNSAWDFADGVLEQILATSRSRGYITGDQYILERVNIVNGNGYYNLYKPDGTYLFTLNCKTGYF -------110--- VGNGAGHADDLDY |||||| |||||| VGNGAG.ADDLDY
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 630 | 561 | 89.0 |
13C chemical shifts | 477 | 426 | 89.3 |
15N chemical shifts | 133 | 113 | 85.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 238 | 212 | 89.1 |
13C chemical shifts | 226 | 214 | 94.7 |
15N chemical shifts | 112 | 98 | 87.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 392 | 349 | 89.0 |
13C chemical shifts | 251 | 212 | 84.5 |
15N chemical shifts | 21 | 15 | 71.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 59 | 58 | 98.3 |
13C chemical shifts | 59 | 59 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 41 | 67.2 |
13C chemical shifts | 60 | 30 | 50.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GHMSRSEVNMGLSSAGVAVQRSASRVAYNQSAIDDSNNSAWDFADGVLEQILATSRSRGYITGDQYILERVNIVNGNGYYNLYKPDGTYLFTLNCKTGYF ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....SEVNMGLSSAGVAVQRSASRVAYNQSAIDDSNNSAWDFADGVLEQILATSRSRGYITGDQYILERVNIVNGNGYYNLYKPDGTYLFTLNCKTGYF -------110--- VGNGAGHADDLDY ||| |||||| VGN....ADDLDY
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GHMSRSEVNMGLSSAGVAVQRSASRVAYNQSAIDDSNNSAWDFADGVLEQILATSRSRGYITGDQYILERVNIVNGNGYYNLYKPDGTYLFTLNCKTGYF |||||||||||||||||||||||||||| |||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||| .........MGLSSAGVAVQRSASRVAYNQSAIDDSN.SAWDFA.GVLEQILATSRSRGYITGDQYILERVNIVNGNGYYNLYKPDGTYLFTLNCKTGYF --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110--- VGNGAGHADDLDY || |||| VG.....ADDL -------110-