Solution NMR structure of the SANT domain of human DNAJC2; Notrheast structural genomics consortium target HR8254a
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.4 % (841 of 910) | 89.7 % (436 of 486) | 96.2 % (333 of 346) | 92.3 % (72 of 78) |
Backbone | 92.1 % (396 of 430) | 85.4 % (123 of 144) | 95.4 % (207 of 217) | 95.7 % (66 of 69) |
Sidechain | 93.5 % (515 of 551) | 91.5 % (313 of 342) | 98.0 % (196 of 200) | 66.7 % (6 of 9) |
Aromatic | 96.0 % (48 of 50) | 96.0 % (24 of 25) | 95.7 % (22 of 23) | 100.0 % (2 of 2) |
Methyl | 98.6 % (71 of 72) | 97.2 % (35 of 36) | 100.0 % (36 of 36) |
1. entity
QGFTPWTTEE QKLLEQALKT YPVNTPERWK KIAEAVPGRT KKDCMKRYKE LVEMVKAKKA AQEQVLNASR AKKSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs00507 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 500 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs00507 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 500 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs00507 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 500 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs00507 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 500 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs00507 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 500 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs00507 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 500 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs00507 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 500 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs00507 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 500 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs00507 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 500 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs00507 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 500 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18909_2m2e.nef |
Input source #2: Coordindates | 2m2e.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
-550-----560-------570-------580-------590-------600-------610-------620- QGFTPWTTEEQKLLEQALKTYPVNTPERWKKIAEAVPGRTKKDCMKRYKELVEMVKAKKAAQEQVLNASRAKK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QGFTPWTTEEQKLLEQALKTYPVNTPERWKKIAEAVPGRTKKDCMKRYKELVEMVKAKKAAQEQVLNASRAKK --------10--------20--------30--------40--------50--------60--------70---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 73 | 0 | 0 | 100.0 |
Content subtype: combined_18909_2m2e.nef
Assigned chemical shifts
-550-----560-------570-------580-------590-------600-------610-------620- QGFTPWTTEEQKLLEQALKTYPVNTPERWKKIAEAVPGRTKKDCMKRYKELVEMVKAKKAAQEQVLNASRAKK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .GFTPWTTEEQKLLEQALKTYPVNTPERWKKIAEAVPGRTKKDCMKRYKELVEMVKAKKAAQEQVLNASRAKK
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 486 | 465 | 95.7 |
13C chemical shifts | 346 | 332 | 96.0 |
15N chemical shifts | 82 | 74 | 90.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 144 | 139 | 96.5 |
13C chemical shifts | 146 | 137 | 93.8 |
15N chemical shifts | 69 | 65 | 94.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 342 | 326 | 95.3 |
13C chemical shifts | 200 | 195 | 97.5 |
15N chemical shifts | 13 | 9 | 69.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 38 | 38 | 100.0 |
13C chemical shifts | 38 | 38 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 25 | 24 | 96.0 |
13C chemical shifts | 23 | 22 | 95.7 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
-550-----560-------570-------580-------590-------600-------610-------620- QGFTPWTTEEQKLLEQALKTYPVNTPERWKKIAEAVPGRTKKDCMKRYKELVEMVKAKKAAQEQVLNASRAKK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..FTPWTTEEQKLLEQALKTYPVNTPERWKKIAEAVPGRTKKDCMKRYKELVEMVKAKKAAQEQVLNASRAKK
Dihedral angle restraints
-550-----560-------570-------580-------590-------600-------610-------620- QGFTPWTTEEQKLLEQALKTYPVNTPERWKKIAEAVPGRTKKDCMKRYKELVEMVKAKKAAQEQVLNASRAKK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..FTPWTTEEQKLLEQALKTYPVNTPERWKKIAEAVPGRTKKDCMKRYKELVEMVKAKKAAQEQVLNASRA -550-----560-------570-------580-------590-------600-------610---------