Solution structure for human HSP70 substrate binding domain L542Y mutant
HMGDKSENVQ DLLLLDVAPL SLGLETAGGV MTALIKRNST IPTKQTQIFT TYSDNQPGVL IQVYEGERAM TKDNNLLGRF ELSGIPPAPR GVPQIEVTFD IDANGILNVT ATDKSTGKAN KITITNDKGR LSKEEIERMV QEAEKYKAED EVQRERVSAK NAYESYAFNM KSAVEDEGLK GKISE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.0 % (1860 of 2113) | 81.8 % (902 of 1103) | 94.6 % (769 of 813) | 95.9 % (189 of 197) |
Backbone | 95.8 % (1050 of 1096) | 93.6 % (353 of 377) | 96.9 % (524 of 541) | 97.2 % (173 of 178) |
Sidechain | 82.2 % (976 of 1188) | 75.6 % (549 of 726) | 92.8 % (411 of 443) | 84.2 % (16 of 19) |
Aromatic | 95.2 % (80 of 84) | 95.2 % (40 of 42) | 95.2 % (40 of 42) | |
Methyl | 92.0 % (195 of 212) | 90.6 % (96 of 106) | 93.4 % (99 of 106) |
1. Heat shock 70 kDa protein 1A
HMGDKSENVQ DLLLLDVAPL SLGLETAGGV MTALIKRNST IPTKQTQIFT TYSDNQPGVL IQVYEGERAM TKDNNLLGRF ELSGIPPAPR GVPQIEVTFD IDANGILNVT ATDKSTGKAN KITITNDKGR LSKEEIERMV QEAEKYKAED EVQRERVSAK NAYESYAFNM KSAVEDEGLK GKISESolvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.658 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.658 ppm | internal | direct | 1.0 |
15N | water | protons | 4.658 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.658 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.658 ppm | internal | direct | 1.0 |
15N | water | protons | 4.658 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.658 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.658 ppm | internal | direct | 1.0 |
15N | water | protons | 4.658 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.658 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.658 ppm | internal | direct | 1.0 |
15N | water | protons | 4.658 ppm | internal | indirect | 0.1013291 |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker AvanceII - 700 MHz
State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | human HSP70 substrate binding domain L542Y mutant | protein | 0.0 ~ 0.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_36078_5xir.nef |
Input source #2: Coordindates | 5xir.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 HMGDKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| HMGDKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFD -------110-------120-------130-------140-------150-------160-------170-------180----- IDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNAYESYAFNMKSAVEDEGLKGKISE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| IDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNAYESYAFNMKSAVEDEGLKGKISE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 185 | 0 | 0 | 100.0 |
Content subtype: combined_36078_5xir.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 HMGDKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFD | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||| .M.DKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGI.PAPRGVPQIEVTFD -------110-------120-------130-------140-------150-------160-------170-------180----- IDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNAYESYAFNMKSAVEDEGLKGKISE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||| IDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNAYESYAF...SAVEDEGLKGKISE
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1103 | 880 | 79.8 |
13C chemical shifts | 813 | 765 | 94.1 |
15N chemical shifts | 205 | 187 | 91.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 377 | 352 | 93.4 |
13C chemical shifts | 370 | 357 | 96.5 |
15N chemical shifts | 178 | 170 | 95.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 726 | 528 | 72.7 |
13C chemical shifts | 443 | 408 | 92.1 |
15N chemical shifts | 27 | 17 | 63.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 111 | 97 | 87.4 |
13C chemical shifts | 111 | 100 | 90.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 40 | 95.2 |
13C chemical shifts | 42 | 40 | 95.2 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 HMGDKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFD || ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||| ...DK.ENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGI.PAPRGVPQIEVTFD --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170-------180----- IDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNAYESYAFNMKSAVEDEGLKGKISE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||| ||||||||||| IDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAK.AYESYAF....AVEDEGLKGKI -------110-------120-------130-------140-------150-------160-------170-------180---
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 HMGDKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||| ...............DVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRG.PQIEVTFD --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170-------180----- IDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNAYESYAFNMKSAVEDEGLKGKISE |||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||| ||| IDANGILNVTATDKSTGKANKITITN....LSKEEIERMVQEAEKYKAEDEVQRERVSAKNAYESY.........DEG -------110-------120-------130-------140-------150-------160-------170--------