Solution NMR structure of palmitated SCP2L2 from Aedes aegypti
MSVETIIERI KARVGAVDPN GPRKVLGVFQ LNIKTASGVE QWIVDLKQLK VDQGVFASPD VTVTVGLEDM LAISGKTLTV GDALKQGKIE LSGDADLAAK LAEVIHHHHH H
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.4 % (1084 of 1254) | 92.7 % (596 of 643) | 76.0 % (376 of 495) | 96.6 % (112 of 116) |
Backbone | 82.1 % (542 of 660) | 96.1 % (220 of 229) | 67.5 % (218 of 323) | 96.3 % (104 of 108) |
Sidechain | 91.8 % (638 of 695) | 90.8 % (376 of 414) | 93.0 % (254 of 273) | 100.0 % (8 of 8) |
Aromatic | 66.1 % (37 of 56) | 71.4 % (20 of 28) | 59.3 % (16 of 27) | 100.0 % (1 of 1) |
Methyl | 98.8 % (162 of 164) | 98.8 % (81 of 82) | 98.8 % (81 of 82) |
1. entity 1
MSVETIIERI KARVGAVDPN GPRKVLGVFQ LNIKTASGVE QWIVDLKQLK VDQGVFASPD VTVTVGLEDM LAISGKTLTV GDALKQGKIE LSGDADLAAK LAEVIHHHHH HSolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 15N] | protein | 1.0 mM |
2 | PALMITOLEIC ACID | natural abundance | 2.0 mM | |
3 | H2O | natural abundance | solvent | 93 % |
4 | D2O | [U-2H] | solvent | 7 % |
Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity_1 | [U-100% 13C; U-100% 15N] | protein | 1.0 mM |
6 | PALMITOLEIC ACID | natural abundance | 2.0 mM | |
7 | H2O | natural abundance | solvent | 93 % |
8 | D2O | [U-2H] | solvent | 7 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 15N] | protein | 1.0 mM |
2 | PALMITOLEIC ACID | natural abundance | 2.0 mM | |
3 | H2O | natural abundance | solvent | 93 % |
4 | D2O | [U-2H] | solvent | 7 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity_1 | [U-100% 13C; U-100% 15N] | protein | 1.0 mM |
6 | PALMITOLEIC ACID | natural abundance | 2.0 mM | |
7 | H2O | natural abundance | solvent | 93 % |
8 | D2O | [U-2H] | solvent | 7 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity_1 | [U-100% 13C; U-100% 15N] | protein | 1.0 mM |
6 | PALMITOLEIC ACID | natural abundance | 2.0 mM | |
7 | H2O | natural abundance | solvent | 93 % |
8 | D2O | [U-2H] | solvent | 7 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity_1 | [U-100% 13C; U-100% 15N] | protein | 1.0 mM |
6 | PALMITOLEIC ACID | natural abundance | 2.0 mM | |
7 | H2O | natural abundance | solvent | 93 % |
8 | D2O | [U-2H] | solvent | 7 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity_1 | [U-100% 13C; U-100% 15N] | protein | 1.0 mM |
6 | PALMITOLEIC ACID | natural abundance | 2.0 mM | |
7 | H2O | natural abundance | solvent | 93 % |
8 | D2O | [U-2H] | solvent | 7 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity_1 | [U-100% 13C; U-100% 15N] | protein | 1.0 mM |
6 | PALMITOLEIC ACID | natural abundance | 2.0 mM | |
7 | H2O | natural abundance | solvent | 93 % |
8 | D2O | [U-2H] | solvent | 7 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity_1 | [U-100% 13C; U-100% 15N] | protein | 1.0 mM |
6 | PALMITOLEIC ACID | natural abundance | 2.0 mM | |
7 | H2O | natural abundance | solvent | 93 % |
8 | D2O | [U-2H] | solvent | 7 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity_1 | [U-100% 13C; U-100% 15N] | protein | 1.0 mM |
6 | PALMITOLEIC ACID | natural abundance | 2.0 mM | |
7 | H2O | natural abundance | solvent | 93 % |
8 | D2O | [U-2H] | solvent | 7 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25984_2nbn.nef |
Input source #2: Coordindates | 2nbn.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
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | PLM | PALMITIC ACID | None |
B | 2 | PLM | PALMITIC ACID | None |
B | 201 | PAM | PALMITOLEIC ACID | Assigned chemical shifts |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSVETIIERIKARVGAVDPNGPRKVLGVFQLNIKTASGVEQWIVDLKQLKVDQGVFASPDVTVTVGLEDMLAISGKTLTVGDALKQGKIELSGDADLAAK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MSVETIIERIKARVGAVDPNGPRKVLGVFQLNIKTASGVEQWIVDLKQLKVDQGVFASPDVTVTVGLEDMLAISGKTLTVGDALKQGKIELSGDADLAAK -------110- LAEVIHHHHHH ||||||||||| LAEVIHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 111 | 0 | 0 | 100.0 |
Content subtype: combined_25984_2nbn.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSVETIIERIKARVGAVDPNGPRKVLGVFQLNIKTASGVEQWIVDLKQLKVDQGVFASPDVTVTVGLEDMLAISGKTLTVGDALKQGKIELSGDADLAAK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SVETIIERIKARVGAVDPNGPRKVLGVFQLNIKTASGVEQWIVDLKQLKVDQGVFASPDVTVTVGLEDMLAISGKTLTVGDALKQGKIELSGDADLAAK --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110- LAEVIHHHHHH |||||| LAEVIH ------
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 643 | 585 | 91.0 |
13C chemical shifts | 495 | 354 | 71.5 |
15N chemical shifts | 119 | 110 | 92.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 229 | 217 | 94.8 |
13C chemical shifts | 222 | 105 | 47.3 |
15N chemical shifts | 108 | 102 | 94.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 414 | 368 | 88.9 |
13C chemical shifts | 273 | 249 | 91.2 |
15N chemical shifts | 11 | 8 | 72.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 84 | 82 | 97.6 |
13C chemical shifts | 84 | 82 | 97.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 28 | 18 | 64.3 |
13C chemical shifts | 27 | 12 | 44.4 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSVETIIERIKARVGAVDPNGPRKVLGVFQLNIKTASGVEQWIVDLKQLKVDQGVFASPDVTVTVGLEDMLAISGKTLTVGDALKQGKIELSGDADLAAK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SVETIIERIKARVGAVDPNGPRKVLGVFQLNIKTASGVEQWIVDLKQLKVDQGVFASPDVTVTVGLEDMLAISGKTLTVGDALKQGKIELSGDADLAAK --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110- LAEVIHHHHHH |||||| LAEVIH ------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSVETIIERIKARVGAVDPNGPRKVLGVFQLNIKTASGVEQWIVDLKQLKVDQGVFASPDVTVTVGLEDMLAISGKTLTVGDALKQGKIELSGDADLAAK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MSVETIIERIKARVGAVDPNGPRKVLGVFQLNIKTASGVEQWIVDLKQLKVDQGVFASPDVTVTVGLEDMLAISGKTLTVGDALKQGKIELSGDADLAAK --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110- LAEVIHHHHHH |||||| LAEVIH ------