recombinant mouse Nerve Growth Factor
SSTHPVFHMG EFSVCDSVSV WVGDKTTATD IKGKEVTVLA EVNINNSVFR QYFFETKCRA SNPVESGCRG IDSKHWNSYC TTTHTFVKAL TTDEKQAAWR FIRIDTACVC VLSRKATR
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS15:SG | 1:CYS80:SG |
2 | disulfide | sing | 1:CYS58:SG | 1:CYS108:SG |
3 | disulfide | sing | 1:CYS68:SG | 1:CYS110:SG |
4 | disulfide | sing | 1:CYS15:SG | 1:CYS80:SG |
5 | disulfide | sing | 1:CYS58:SG | 1:CYS108:SG |
6 | disulfide | sing | 1:CYS68:SG | 1:CYS110:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.8 % (1260 of 1344) | 91.7 % (630 of 687) | 95.3 % (506 of 531) | 98.4 % (124 of 126) |
Backbone | 98.0 % (690 of 704) | 97.9 % (234 of 239) | 98.0 % (342 of 349) | 98.3 % (114 of 116) |
Sidechain | 90.6 % (682 of 753) | 88.4 % (396 of 448) | 93.6 % (276 of 295) | 100.0 % (10 of 10) |
Aromatic | 73.9 % (102 of 138) | 73.9 % (51 of 69) | 72.7 % (48 of 66) | 100.0 % (3 of 3) |
Methyl | 100.0 % (128 of 128) | 100.0 % (64 of 64) | 100.0 % (64 of 64) |
1. entity 1
SSTHPVFHMG EFSVCDSVSV WVGDKTTATD IKGKEVTVLA EVNINNSVFR QYFFETKCRA SNPVESGCRG IDSKHWNSYC TTTHTFVKAL TTDEKQAAWR FIRIDTACVC VLSRKATRSolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.725 ppm | internal | direct | 1.0 |
15N | water | protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.725 ppm | internal | direct | 1.0 |
15N | water | protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.725 ppm | internal | direct | 1.0 |
15N | water | protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.725 ppm | internal | direct | 1.0 |
15N | water | protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 7, Details 0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EDTA | natural abundance | 1 mM | |
2 | Nerve Growth Factor | [U-99% 13C; U-99% 15N] | 0.1 mM | |
3 | sodium phosphate | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_34037_5lsd.nef |
Input source #2: Coordindates | 5lsd.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | True (see coordinates for details) |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Ã…) |
---|---|---|---|---|
A:15:CYS:SG | A:80:CYS:SG | oxidized, CA 54.507, CB 47.589 ppm | oxidized, CA 54.749, CB 43.524 ppm | 2.028 |
A:58:CYS:SG | A:108:CYS:SG | oxidized, CA 54.066, CB 41.368 ppm | oxidized, CA 55.019, CB 41.084 ppm | 2.028 |
A:68:CYS:SG | A:110:CYS:SG | oxidized, CA 54.436, CB 42.458 ppm | oxidized, CA 56.258, CB 42.223 ppm | 2.027 |
B:15:CYS:SG | B:80:CYS:SG | oxidized, CA 54.507, CB 47.589 ppm | oxidized, CA 54.749, CB 43.524 ppm | 2.029 |
B:58:CYS:SG | B:108:CYS:SG | oxidized, CA 54.066, CB 41.368 ppm | oxidized, CA 55.019, CB 41.084 ppm | 2.027 |
B:68:CYS:SG | B:110:CYS:SG | oxidized, CA 54.436, CB 42.458 ppm | oxidized, CA 56.258, CB 42.223 ppm | 2.029 |
Other 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 SSTHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SSTHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR -------110-------- FIRIDTACVCVLSRKATR |||||||||||||||||| FIRIDTACVCVLSRKATR
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SSTHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SSTHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR -------110-------- FIRIDTACVCVLSRKATR |||||||||||||||||| FIRIDTACVCVLSRKATR
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 118 | 0 | 0 | 100.0 |
B | B | 118 | 0 | 0 | 100.0 |
Content subtype: combined_34037_5lsd.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SSTHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .STHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR -------110-------- FIRIDTACVCVLSRKATR |||||||||||||||||| FIRIDTACVCVLSRKATR
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SSTHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .STHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR -------110-------- FIRIDTACVCVLSRKATR |||||||||||||||||| FIRIDTACVCVLSRKATR
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
85 | THR | HG1 | 6.542 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 687 | 626 | 91.1 |
13C chemical shifts | 531 | 504 | 94.9 |
15N chemical shifts | 133 | 123 | 92.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 239 | 236 | 98.7 |
13C chemical shifts | 236 | 228 | 96.6 |
15N chemical shifts | 116 | 113 | 97.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 448 | 390 | 87.1 |
13C chemical shifts | 295 | 276 | 93.6 |
15N chemical shifts | 17 | 10 | 58.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 65 | 100.0 |
13C chemical shifts | 65 | 65 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 69 | 51 | 73.9 |
13C chemical shifts | 66 | 48 | 72.7 |
15N chemical shifts | 3 | 3 | 100.0 |
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
85 | THR | HG1 | 6.542 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 687 | 626 | 91.1 |
13C chemical shifts | 531 | 504 | 94.9 |
15N chemical shifts | 133 | 123 | 92.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 239 | 236 | 98.7 |
13C chemical shifts | 236 | 228 | 96.6 |
15N chemical shifts | 116 | 113 | 97.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 448 | 390 | 87.1 |
13C chemical shifts | 295 | 276 | 93.6 |
15N chemical shifts | 17 | 10 | 58.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 65 | 100.0 |
13C chemical shifts | 65 | 65 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 69 | 51 | 73.9 |
13C chemical shifts | 66 | 48 | 72.7 |
15N chemical shifts | 3 | 3 | 100.0 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SSTHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .STHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR -------110-------- FIRIDTACVCVLSRKATR |||||||||||||||||| FIRIDTACVCVLSRKATR
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SSTHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .STHPVFHMGEFSVCDSVSVWVGDKTTATDIKGKEVTVLAEVNINNSVFRQYFFETKCRASNPVESGCRGIDSKHWNSYCTTTHTFVKALTTDEKQAAWR -------110-------- FIRIDTACVCVLSRKATR |||||||||||||||||| FIRIDTACVCVLSRKATR