Solution structure of a putative acyl carrier protein from Anaplasma phagocytophilum. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target AnphA.01018.a
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.0 % (948 of 998) | 93.0 % (481 of 517) | 96.4 % (373 of 387) | 100.0 % (94 of 94) |
Backbone | 97.3 % (512 of 526) | 97.8 % (174 of 178) | 96.2 % (251 of 261) | 100.0 % (87 of 87) |
Sidechain | 93.2 % (519 of 557) | 90.6 % (307 of 339) | 97.2 % (205 of 211) | 100.0 % (7 of 7) |
Aromatic | 100.0 % (38 of 38) | 100.0 % (19 of 19) | 100.0 % (19 of 19) | |
Methyl | 94.2 % (98 of 104) | 92.3 % (48 of 52) | 96.2 % (50 of 52) |
1. ACP18
PGSMVSEEIK AQVMESVIGC LKLNDEQKQI LSGTTNLAKD FNLDSLDFVD LIMSLEERFS LEISDEDAQK LETVDDICRY IASKSSDASolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ACP18 | [U-100% 13C; U-100% 15N] | 1.0 ~ 2.0 mM | |
2 | sodium chloride | natural abundance | 100 (±3.0) mM | |
3 | TRIS | natural abundance | 20 (±1.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ACP18 | [U-98% 15N] | 1.0 ~ 2.0 mM | |
7 | sodium chloride | natural abundance | 100 (±3.0) mM | |
8 | TRIS | natural abundance | 20 (±1.0) mM | |
9 | 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 | 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 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ACP18 | [U-100% 13C; U-100% 15N] | 1.0 ~ 2.0 mM | |
2 | sodium chloride | natural abundance | 100 (±3.0) mM | |
3 | TRIS | natural abundance | 20 (±1.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ACP18 | [U-100% 13C; U-100% 15N] | 1.0 ~ 2.0 mM | |
2 | sodium chloride | natural abundance | 100 (±3.0) mM | |
3 | TRIS | natural abundance | 20 (±1.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ACP18 | [U-100% 13C; U-100% 15N] | 1.0 ~ 2.0 mM | |
2 | sodium chloride | natural abundance | 100 (±3.0) mM | |
3 | TRIS | natural abundance | 20 (±1.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ACP18 | [U-100% 13C; U-100% 15N] | 1.0 ~ 2.0 mM | |
2 | sodium chloride | natural abundance | 100 (±3.0) mM | |
3 | TRIS | natural abundance | 20 (±1.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ACP18 | [U-100% 13C; U-100% 15N] | 1.0 ~ 2.0 mM | |
2 | sodium chloride | natural abundance | 100 (±3.0) mM | |
3 | TRIS | natural abundance | 20 (±1.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ACP18 | [U-100% 13C; U-100% 15N] | 1.0 ~ 2.0 mM | |
2 | sodium chloride | natural abundance | 100 (±3.0) mM | |
3 | TRIS | natural abundance | 20 (±1.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ACP18 | [U-100% 13C; U-100% 15N] | 1.0 ~ 2.0 mM | |
2 | sodium chloride | natural abundance | 100 (±3.0) mM | |
3 | TRIS | natural abundance | 20 (±1.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ACP18 | [U-100% 13C; U-100% 15N] | 1.0 ~ 2.0 mM | |
2 | sodium chloride | natural abundance | 100 (±3.0) mM | |
3 | TRIS | natural abundance | 20 (±1.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 7 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ACP18 | [U-98% 15N] | 1.0 ~ 2.0 mM | |
7 | sodium chloride | natural abundance | 100 (±3.0) mM | |
8 | TRIS | natural abundance | 20 (±1.0) mM | |
9 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17235_2l4b.nef |
Input source #2: Coordindates | 2l4b.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-------- PGSMVSEEIKAQVMESVIGCLKLNDEQKQILSGTTNLAKDFNLDSLDFVDLIMSLEERFSLEISDEDAQKLETVDDICRYIASKSSDA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PGSMVSEEIKAQVMESVIGCLKLNDEQKQILSGTTNLAKDFNLDSLDFVDLIMSLEERFSLEISDEDAQKLETVDDICRYIASKSSDA
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 88 | 0 | 0 | 100.0 |
Content subtype: combined_17235_2l4b.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80-------- PGSMVSEEIKAQVMESVIGCLKLNDEQKQILSGTTNLAKDFNLDSLDFVDLIMSLEERFSLEISDEDAQKLETVDDICRYIASKSSDA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PGSMVSEEIKAQVMESVIGCLKLNDEQKQILSGTTNLAKDFNLDSLDFVDLIMSLEERFSLEISDEDAQKLETVDDICRYIASKSSDA
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 517 | 481 | 93.0 |
13C chemical shifts | 387 | 370 | 95.6 |
15N chemical shifts | 96 | 94 | 97.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 178 | 174 | 97.8 |
13C chemical shifts | 176 | 167 | 94.9 |
15N chemical shifts | 87 | 87 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 339 | 307 | 90.6 |
13C chemical shifts | 211 | 203 | 96.2 |
15N chemical shifts | 9 | 7 | 77.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 51 | 92.7 |
13C chemical shifts | 55 | 53 | 96.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 19 | 19 | 100.0 |
13C chemical shifts | 19 | 17 | 89.5 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80-------- PGSMVSEEIKAQVMESVIGCLKLNDEQKQILSGTTNLAKDFNLDSLDFVDLIMSLEERFSLEISDEDAQKLETVDDICRYIASKSSDA ||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||| ...MVSEEIKAQVMESVIGCLKLNDEQKQILSGTTNLAKDFNLD.LDFVDLIMSLEERFSLEISDEDAQKLETVDDICRYIASKSSDA
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80-------- PGSMVSEEIKAQVMESVIGCLKLNDEQKQILSGTTNLAKDFNLDSLDFVDLIMSLEERFSLEISDEDAQKLETVDDICRYIASKSSDA |||||||| ||||||| ||||||||||||| |||| ||||||||||||||||||||||||||||| ||||||||||||| ||||| ..SMVSEEIK.QVMESVI.CLKLNDEQKQILS.TTNL.KDFNLDSLDFVDLIMSLEERFSLEISDED.QKLETVDDICRYI.SKSSD --------10--------20--------30--------40--------50--------60--------70--------80-------