Solution Structure of Lipid Transfer Protein From Pea Pisum Sativum
ALSCGTVSAD LAPCVTYLQA PNNASPPPPC CAGVKKLLAA ATTTPDRQAA CNCLKSAAGS IPKLNTNNAA ALPGKCGVSI PYKISTSTNC NTVRF
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 98.5 % (979 of 994) | 99.4 % (507 of 510) | 96.9 % (377 of 389) | 100.0 % (95 of 95) |
Backbone | 98.5 % (542 of 550) | 98.9 % (183 of 185) | 97.9 % (274 of 280) | 100.0 % (85 of 85) |
Sidechain | 98.7 % (527 of 534) | 99.7 % (324 of 325) | 97.0 % (193 of 199) | 100.0 % (10 of 10) |
Aromatic | 76.9 % (20 of 26) | 100.0 % (13 of 13) | 53.8 % (7 of 13) | |
Methyl | 99.1 % (113 of 114) | 98.2 % (56 of 57) | 100.0 % (57 of 57) |
1. Ps-LTP1
ALSCGTVSAD LAPCVTYLQA PNNASPPPPC CAGVKKLLAA ATTTPDRQAA CNCLKSAAGS IPKLNTNNAA ALPGKCGVSI PYKISTSTNC NTVRFSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbon | 0.0 ppm | na | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbon | 0.0 ppm | na | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbon | 0.0 ppm | na | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbon | 0.0 ppm | na | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PS-LTP1 | [U-98% 13C; U-98% 15N] | 1 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25830_2n81.nef |
Input source #2: Coordindates | 2n81.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
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----- ALSCGTVSADLAPCVTYLQAPNNASPPPPCCAGVKKLLAAATTTPDRQAACNCLKSAAGSIPKLNTNNAAALPGKCGVSIPYKISTSTNCNTVRF ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ALSCGTVSADLAPCVTYLQAPNNASPPPPCCAGVKKLLAAATTTPDRQAACNCLKSAAGSIPKLNTNNAAALPGKCGVSIPYKISTSTNCNTVRF
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 95 | 0 | 0 | 100.0 |
Content subtype: combined_25830_2n81.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- ALSCGTVSADLAPCVTYLQAPNNASPPPPCCAGVKKLLAAATTTPDRQAACNCLKSAAGSIPKLNTNNAAALPGKCGVSIPYKISTSTNCNTVRF ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ALSCGTVSADLAPCVTYLQAPNNASPPPPCCAGVKKLLAAATTTPDRQAACNCLKSAAGSIPKLNTNNAAALPGKCGVSIPYKISTSTNCNTVRF
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 510 | 509 | 99.8 |
13C chemical shifts | 389 | 379 | 97.4 |
15N chemical shifts | 97 | 96 | 99.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 185 | 184 | 99.5 |
13C chemical shifts | 190 | 186 | 97.9 |
15N chemical shifts | 85 | 84 | 98.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 325 | 325 | 100.0 |
13C chemical shifts | 199 | 193 | 97.0 |
15N chemical shifts | 12 | 12 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 57 | 57 | 100.0 |
13C chemical shifts | 57 | 57 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 13 | 13 | 100.0 |
13C chemical shifts | 13 | 7 | 53.8 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- ALSCGTVSADLAPCVTYLQAPNNASPPPPCCAGVKKLLAAATTTPDRQAACNCLKSAAGSIPKLNTNNAAALPGKCGVSIPYKISTSTNCNTVRF ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ALSCGTVSADLAPCVTYLQAPNNASPPPPCCAGVKKLLAAATTTPDRQAACNCLKSAAGSIPKLNTNNAAALPGKCGVSIPYKISTSTNCNTVRF
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- ALSCGTVSADLAPCVTYLQAPNNASPPPPCCAGVKKLLAAATTTPDRQAACNCLKSAAGSIPKLNTNNAAALPGKCGVSIPYKISTSTNCNTVRF || |||| || |||||||| | || ||||||||||| ||||||||||| ||||||| ||||||||||||||| | ||| || ..SC.TVSA.LA.CVTYLQAP..A..PP.CCAGVKKLLAA..TTPDRQAACNC.KSAAGSI..LNTNNAAALPGKCGV......S..TNC.TV --------10--------20--------30--------40--------50--------60--------70--------80--------90---
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- ALSCGTVSADLAPCVTYLQAPNNASPPPPCCAGVKKLLAAATTTPDRQAACNCLKSAAGSIPKLNTNNAAALPGKCGVSIPYKISTSTNCNTVRF || |||| || |||||||| | || ||||||||||| ||||||||||| ||||||| ||||||||||||||| | ||| || ..SC.TVSA.LA.CVTYLQAP..A..PP.CCAGVKKLLAA..TTPDRQAACNC.KSAAGSI..LNTNNAAALPGKCGV......S..TNC.TV --------10--------20--------30--------40--------50--------60--------70--------80--------90---
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- ALSCGTVSADLAPCVTYLQAPNNASPPPPCCAGVKKLLAAATTTPDRQAACNCLKSAAGSIPKLNTNNAAALPGKCGVSIPYKISTSTNCNTVRF |||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ALSCGTVSADLAPCVTYLQAPNNASP..PCCAGVKKLLAAATTTPDRQAACNCLKSAAGSIPKLNTNNAAALPGKCGVSIPYKISTSTNCNTVRF