Solution structure of alpha-mannosidase binding domain of Atg19
GPHMVEPPNE RSLQITMNQR DNSLYFQLFN NTNSVLAGNC KLKFTDAGDK PTTQIIDMGP HEIGIKEYKE YRYFPYALDL EAGSTIEIEN QYGEVIFLGK YGSSPMINLR PPSRLSAE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.8 % (1295 of 1396) | 95.1 % (697 of 733) | 88.9 % (480 of 540) | 95.9 % (118 of 123) |
Backbone | 94.1 % (649 of 690) | 95.3 % (225 of 236) | 92.8 % (320 of 345) | 95.4 % (104 of 109) |
Sidechain | 92.3 % (752 of 815) | 95.0 % (472 of 497) | 87.5 % (266 of 304) | 100.0 % (14 of 14) |
Aromatic | 71.9 % (82 of 114) | 93.0 % (53 of 57) | 50.9 % (29 of 57) | |
Methyl | 96.4 % (106 of 110) | 96.4 % (53 of 55) | 96.4 % (53 of 55) |
1. Atg19
GPHMVEPPNE RSLQITMNQR DNSLYFQLFN NTNSVLAGNC KLKFTDAGDK PTTQIIDMGP HEIGIKEYKE YRYFPYALDL EAGSTIEIEN QYGEVIFLGK YGSSPMINLR PPSRLSAESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
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 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | DTT | natural abundance | 2 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_17006_2kzb.nef |
Input source #2: Coordindates | 2kzb.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
250-----260-------270-------280-------290-------300-------310-------320-------330-------340-------35 GPHMVEPPNERSLQITMNQRDNSLYFQLFNNTNSVLAGNCKLKFTDAGDKPTTQIIDMGPHEIGIKEYKEYRYFPYALDLEAGSTIEIENQYGEVIFLGK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPHMVEPPNERSLQITMNQRDNSLYFQLFNNTNSVLAGNCKLKFTDAGDKPTTQIIDMGPHEIGIKEYKEYRYFPYALDLEAGSTIEIENQYGEVIFLGK --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------360------- YGSSPMINLRPPSRLSAE |||||||||||||||||| YGSSPMINLRPPSRLSAE -------110--------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 118 | 0 | 0 | 100.0 |
Content subtype: combined_17006_2kzb.nef
Assigned chemical shifts
250-----260-------270-------280-------290-------300-------310-------320-------330-------340-------35 GPHMVEPPNERSLQITMNQRDNSLYFQLFNNTNSVLAGNCKLKFTDAGDKPTTQIIDMGPHEIGIKEYKEYRYFPYALDLEAGSTIEIENQYGEVIFLGK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....VEPPNERSLQITMNQRDNSLYFQLFNNTNSVLAGNCKLKFTDAGDKPTTQIIDMGPHEIGIKEYKEYRYFPYALDLEAGSTIEIENQYGEVIFLGK 0-------360------- YGSSPMINLRPPSRLSAE |||||||||||||||||| YGSSPMINLRPPSRLSAE
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
258 | ASN | CG | 177.013 |
263 | GLN | CD | 180.155 |
267 | ASN | CG | 176.085 |
268 | GLN | CD | 179.536 |
271 | ASN | CG | 178.17 |
276 | GLN | CD | 179.803 |
280 | ASN | CG | 177.298 |
282 | ASN | CG | 177.789 |
288 | ASN | CG | 178.635 |
303 | GLN | CD | 178.75 |
340 | GLN | CD | 180.007 |
357 | ASN | CG | 176.226 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 733 | 696 | 95.0 |
13C chemical shifts | 540 | 479 | 88.7 |
15N chemical shifts | 128 | 118 | 92.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 236 | 226 | 95.8 |
13C chemical shifts | 236 | 213 | 90.3 |
15N chemical shifts | 109 | 104 | 95.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 497 | 470 | 94.6 |
13C chemical shifts | 304 | 266 | 87.5 |
15N chemical shifts | 19 | 14 | 73.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 59 | 56 | 94.9 |
13C chemical shifts | 59 | 56 | 94.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 57 | 53 | 93.0 |
13C chemical shifts | 57 | 29 | 50.9 |
Distance restraints
250-----260-------270-------280-------290-------300-------310-------320-------330-------340-------35 GPHMVEPPNERSLQITMNQRDNSLYFQLFNNTNSVLAGNCKLKFTDAGDKPTTQIIDMGPHEIGIKEYKEYRYFPYALDLEAGSTIEIENQYGEVIFLGK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....VEPPNERSLQITMNQRDNSLYFQLFNNTNSVLAGNCKLKFTDAGDKPTTQIIDMGPHEIGIKEYKEYRYFPYALDLEAGSTIEIENQYGEVIFLGK 0-------360------- YGSSPMINLRPPSRLSAE |||||||||||||||||| YGSSPMINLRPPSRLSAE