Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 3
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.7 % (1118 of 1261) | 88.4 % (596 of 674) | 86.9 % (412 of 474) | 97.3 % (110 of 113) |
Backbone | 96.6 % (595 of 616) | 97.6 % (205 of 210) | 95.4 % (290 of 304) | 98.0 % (100 of 102) |
Sidechain | 83.0 % (617 of 743) | 84.3 % (391 of 464) | 80.6 % (216 of 268) | 90.9 % (10 of 11) |
Aromatic | 50.0 % (17 of 34) | 100.0 % (17 of 17) | 0.0 % (0 of 17) | |
Methyl | 95.0 % (114 of 120) | 98.3 % (59 of 60) | 91.7 % (55 of 60) |
1. entity 1
MDSAISKEDE ERYQKLVTEN EQLQRLITQK EEKIRVLRQR LVERGDAKGT ELN2. entity 2
GPLGSRRFVV DDRRELQYRV EVQNRVYKKE IQALDAEIRK LERLLESGLTSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 15N] Molecule1, 0.7 mM [U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Molecule1 | [U-99% 15N] | protein | 0.7 mM |
2 | Molecule2 | [U-99% 15N] | protein | 0.7 mM |
3 | PBS | natural abundance | buffer | 20 mM |
4 | sodium azide | natural abundance | 0.02 mg/mL | |
5 | sodium chloride | natural abundance | salt | 100 mM |
6 | H2O | natural abundance | solvent | 90 % |
7 | D2O | [U-2H] | solvent | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Molecule1 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
9 | Molecule2 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
10 | PBS | natural abundance | buffer | 20 mM |
11 | sodium azide | natural abundance | 0.02 mg/mL | |
12 | sodium chloride | natural abundance | salt | 100 mM |
13 | H2O | natural abundance | solvent | 90 % |
14 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 15N] Molecule1, 0.7 mM [U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Molecule1 | [U-99% 15N] | protein | 0.7 mM |
2 | Molecule2 | [U-99% 15N] | protein | 0.7 mM |
3 | PBS | natural abundance | buffer | 20 mM |
4 | sodium azide | natural abundance | 0.02 mg/mL | |
5 | sodium chloride | natural abundance | salt | 100 mM |
6 | H2O | natural abundance | solvent | 90 % |
7 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 15N] Molecule1, 0.7 mM [U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Molecule1 | [U-99% 15N] | protein | 0.7 mM |
2 | Molecule2 | [U-99% 15N] | protein | 0.7 mM |
3 | PBS | natural abundance | buffer | 20 mM |
4 | sodium azide | natural abundance | 0.02 mg/mL | |
5 | sodium chloride | natural abundance | salt | 100 mM |
6 | H2O | natural abundance | solvent | 90 % |
7 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Molecule1 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
9 | Molecule2 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
10 | PBS | natural abundance | buffer | 20 mM |
11 | sodium azide | natural abundance | 0.02 mg/mL | |
12 | sodium chloride | natural abundance | salt | 100 mM |
13 | H2O | natural abundance | solvent | 90 % |
14 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Molecule1 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
9 | Molecule2 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
10 | PBS | natural abundance | buffer | 20 mM |
11 | sodium azide | natural abundance | 0.02 mg/mL | |
12 | sodium chloride | natural abundance | salt | 100 mM |
13 | H2O | natural abundance | solvent | 90 % |
14 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Molecule1 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
9 | Molecule2 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
10 | PBS | natural abundance | buffer | 20 mM |
11 | sodium azide | natural abundance | 0.02 mg/mL | |
12 | sodium chloride | natural abundance | salt | 100 mM |
13 | H2O | natural abundance | solvent | 90 % |
14 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Molecule1 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
9 | Molecule2 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
10 | PBS | natural abundance | buffer | 20 mM |
11 | sodium azide | natural abundance | 0.02 mg/mL | |
12 | sodium chloride | natural abundance | salt | 100 mM |
13 | H2O | natural abundance | solvent | 90 % |
14 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Molecule1 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
9 | Molecule2 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
10 | PBS | natural abundance | buffer | 20 mM |
11 | sodium azide | natural abundance | 0.02 mg/mL | |
12 | sodium chloride | natural abundance | salt | 100 mM |
13 | H2O | natural abundance | solvent | 90 % |
14 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Molecule1 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
9 | Molecule2 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
10 | PBS | natural abundance | buffer | 20 mM |
11 | sodium azide | natural abundance | 0.02 mg/mL | |
12 | sodium chloride | natural abundance | salt | 100 mM |
13 | H2O | natural abundance | solvent | 90 % |
14 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Molecule1 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
9 | Molecule2 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
10 | PBS | natural abundance | buffer | 20 mM |
11 | sodium azide | natural abundance | 0.02 mg/mL | |
12 | sodium chloride | natural abundance | salt | 100 mM |
13 | H2O | natural abundance | solvent | 90 % |
14 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Molecule1 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
9 | Molecule2 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
10 | PBS | natural abundance | buffer | 20 mM |
11 | sodium azide | natural abundance | 0.02 mg/mL | |
12 | sodium chloride | natural abundance | salt | 100 mM |
13 | H2O | natural abundance | solvent | 90 % |
14 | D2O | [U-2H] | solvent | 10 % |
Agilent DD2 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Molecule1 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
9 | Molecule2 | [U-99% 13C; U-99% 15N] | protein | 0.7 mM |
10 | PBS | natural abundance | buffer | 20 mM |
11 | sodium azide | natural abundance | 0.02 mg/mL | |
12 | sodium chloride | natural abundance | salt | 100 mM |
13 | H2O | natural abundance | solvent | 90 % |
14 | D2O | [U-2H] | solvent | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_36021_5gwm.nef |
Input source #2: Coordindates | 5gwm.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--- MDSAISKEDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVERGDAKGTELN ||||||||||||||||||||||||||||||||||||||||||||||||||||| MDSAISKEDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVERGDAKGTELN
-----90-------100-------110-------120-------130--- GPLGSRRFVVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLESGLT |||||||||||||||||||||||||||||||||||||||||||||||||| GPLGSRRFVVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLESGLT --------10--------20--------30--------40--------50
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 53 | 0 | 0 | 100.0 |
B | B | 50 | 0 | 0 | 100.0 |
Content subtype: combined_36021_5gwm.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--- MDSAISKEDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVERGDAKGTELN |||||||||||||||||||||||||||||||||||||||||||||||||||| .DSAISKEDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVERGDAKGTELN
-----90-------100-------110-------120-------130--- GPLGSRRFVVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLESGLT ||||||||||||||||||||||||||||||||||||||||||||||||| .PLGSRRFVVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLESGLT
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 347 | 312 | 89.9 |
13C chemical shifts | 240 | 207 | 86.3 |
15N chemical shifts | 66 | 58 | 87.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 108 | 105 | 97.2 |
13C chemical shifts | 106 | 99 | 93.4 |
15N chemical shifts | 53 | 51 | 96.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 239 | 207 | 86.6 |
13C chemical shifts | 134 | 108 | 80.6 |
15N chemical shifts | 13 | 7 | 53.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 30 | 29 | 96.7 |
13C chemical shifts | 30 | 27 | 90.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 4 | 4 | 100.0 |
13C chemical shifts | 4 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 327 | 274 | 83.8 |
13C chemical shifts | 234 | 199 | 85.0 |
15N chemical shifts | 61 | 51 | 83.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 102 | 98 | 96.1 |
13C chemical shifts | 100 | 94 | 94.0 |
15N chemical shifts | 49 | 48 | 98.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 225 | 176 | 78.2 |
13C chemical shifts | 134 | 105 | 78.4 |
15N chemical shifts | 12 | 3 | 25.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 31 | 30 | 96.8 |
13C chemical shifts | 31 | 28 | 90.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 13 | 8 | 61.5 |
13C chemical shifts | 13 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--- MDSAISKEDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVERGDAKGTELN |||||||||||||||||||||||||||||||||||||||||||||||||||| .DSAISKEDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVERGDAKGTELN
-----90-------100-------110-------120-------130--- GPLGSRRFVVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLESGLT || |||||||||||||||||||||||||||||||||||||||||| .PL.....VVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLESGLT
--------10--------20--------30--------40--------50--- MDSAISKEDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVERGDAKGTELN |||||| |||||||||| |||||||||||||||||||||||||||||||| ..SAISKE.EERYQKLVTE.EQLQRLITQKEEKIRVLRQRLVERGDAKGTEL --------10--------20--------30--------40--------50--
-----90-------100-------110-------120-------130--- GPLGSRRFVVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLESGLT | |||| ||||||||||||||||||||||||| ||||||||||| ....S...VVDD.RELQYRVEVQNRVYKKEIQALDAEI.KLERLLESGLT
--------10--------20--------30--------40--------50--- MDSAISKEDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVERGDAKGTELN ||||||||||||||||||||||||||||||||||||| .......EDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVER --------10--------20--------30--------40----
-----90-------100-------110-------120-------130--- GPLGSRRFVVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLESGLT |||||||||||||||||||||||||||||||||||||||| ......RFVVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLE -----90-------100-------110-------120---------
Dihedral angle restraints
--------10--------20--------30--------40--------50--- MDSAISKEDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVERGDAKGTELN ||||||||||||||||||||||||||||||||||||||||||||||||||| .DSAISKEDEERYQKLVTENEQLQRLITQKEEKIRVLRQRLVERGDAKGTEL --------10--------20--------30--------40--------50--
-----90-------100-------110-------120-------130--- GPLGSRRFVVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLESGLT ||||||| ||||||||||||||||||||||||||||||||||||||||| GPLGSRR.VVDDRRELQYRVEVQNRVYKKEIQALDAEIRKLERLLESGL -----90-------100-------110-------120-------130--