solution structure of FAPP1 PH domain
GPLGSPEFME GVLYKWTNYL TGWQPRWFVL DNGILSYYDS QDDVCKGSKG SIKMAVCEIK VHSADNTRME LIIPGEQHFY MKAVNAAERQ RWLVALGSSK ASLTDTRT
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.9 % (1212 of 1264) | 96.3 % (631 of 655) | 94.5 % (466 of 493) | 99.1 % (115 of 116) |
Backbone | 98.6 % (631 of 640) | 98.6 % (218 of 221) | 98.4 % (310 of 315) | 99.0 % (103 of 104) |
Sidechain | 94.1 % (680 of 723) | 95.2 % (413 of 434) | 92.1 % (255 of 277) | 100.0 % (12 of 12) |
Aromatic | 77.8 % (98 of 126) | 84.1 % (53 of 63) | 69.5 % (41 of 59) | 100.0 % (4 of 4) |
Methyl | 100.0 % (110 of 110) | 100.0 % (55 of 55) | 100.0 % (55 of 55) |
1. FAPP1-PH
GPLGSPEFME GVLYKWTNYL TGWQPRWFVL DNGILSYYDS QDDVCKGSKG SIKMAVCEIK VHSADNTRME LIIPGEQHFY MKAVNAAERQ RWLVALGSSK ASLTDTRTSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FAPP1-PH | [U-13C; U-15N] | 600 uM | |
2 | TRIS | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 1 mM | |
4 | sodium chloride | natural abundance | 100 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | FAPP1-PH | [U-15N] | 600 uM | |
6 | TRIS | natural abundance | 20 mM | |
7 | sodium azide | natural abundance | 1 mM | |
8 | sodium chloride | natural abundance | 100 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.75 ppm | na | indirect | 0.2514598 |
1H | water | protons | 4.75 ppm | na | direct | 1.0 |
15N | water | protons | 4.75 ppm | na | indirect | 0.1013409 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.75 ppm | na | indirect | 0.2514598 |
1H | water | protons | 4.75 ppm | na | direct | 1.0 |
15N | water | protons | 4.75 ppm | na | indirect | 0.1013409 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.75 ppm | na | indirect | 0.2514598 |
1H | water | protons | 4.75 ppm | na | direct | 1.0 |
15N | water | protons | 4.75 ppm | na | indirect | 0.1013409 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.75 ppm | na | indirect | 0.2514598 |
1H | water | protons | 4.75 ppm | na | direct | 1.0 |
15N | water | protons | 4.75 ppm | na | indirect | 0.1013409 |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FAPP1-PH | [U-13C; U-15N] | 600 uM | |
2 | TRIS | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 1 mM | |
4 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FAPP1-PH | [U-13C; U-15N] | 600 uM | |
2 | TRIS | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 1 mM | |
4 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FAPP1-PH | [U-13C; U-15N] | 600 uM | |
2 | TRIS | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 1 mM | |
4 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FAPP1-PH | [U-13C; U-15N] | 600 uM | |
2 | TRIS | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 1 mM | |
4 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FAPP1-PH | [U-13C; U-15N] | 600 uM | |
2 | TRIS | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 1 mM | |
4 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FAPP1-PH | [U-13C; U-15N] | 600 uM | |
2 | TRIS | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 1 mM | |
4 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FAPP1-PH | [U-13C; U-15N] | 600 uM | |
2 | TRIS | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 1 mM | |
4 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FAPP1-PH | [U-13C; U-15N] | 600 uM | |
2 | TRIS | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 1 mM | |
4 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FAPP1-PH | [U-13C; U-15N] | 600 uM | |
2 | TRIS | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 1 mM | |
4 | sodium chloride | natural abundance | 100 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16082_2kcj.nef |
Input source #2: Coordindates | 2kcj.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--------60--------70--------80--------90-- GPLGSPEFMEGVLYKWTNYLTGWQPRWFVLDNGILSYYDSQDDVCKGSKGSIKMAVCEIKVHSADNTRMELIIPGEQHFYMKAVNAAERQRWLVALGSSK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPLGSPEFMEGVLYKWTNYLTGWQPRWFVLDNGILSYYDSQDDVCKGSKGSIKMAVCEIKVHSADNTRMELIIPGEQHFYMKAVNAAERQRWLVALGSSK --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -----100 ASLTDTRT |||||||| ASLTDTRT --------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 108 | 0 | 0 | 100.0 |
Content subtype: combined_16082_2kcj.nef
Assigned chemical shifts
----------------10--------20--------30--------40--------50--------60--------70--------80--------90-- GPLGSPEFMEGVLYKWTNYLTGWQPRWFVLDNGILSYYDSQDDVCKGSKGSIKMAVCEIKVHSADNTRMELIIPGEQHFYMKAVNAAERQRWLVALGSSK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .PLGSPEFMEGVLYKWTNYLTGWQPRWFVLDNGILSYYDSQDDVCKGSKGSIKMAVCEIKVHSADNTRMELIIPGEQHFYMKAVNAAERQRWLVALGSSK -----100 ASLTDTRT |||||||| ASLTDTRT
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 655 | 628 | 95.9 |
13C chemical shifts | 493 | 465 | 94.3 |
15N chemical shifts | 121 | 117 | 96.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 221 | 218 | 98.6 |
13C chemical shifts | 216 | 210 | 97.2 |
15N chemical shifts | 104 | 103 | 99.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 434 | 410 | 94.5 |
13C chemical shifts | 277 | 255 | 92.1 |
15N chemical shifts | 17 | 14 | 82.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 59 | 59 | 100.0 |
13C chemical shifts | 59 | 59 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 63 | 50 | 79.4 |
13C chemical shifts | 59 | 41 | 69.5 |
15N chemical shifts | 4 | 4 | 100.0 |
Distance restraints
----------------10--------20--------30--------40--------50--------60--------70--------80--------90-- GPLGSPEFMEGVLYKWTNYLTGWQPRWFVLDNGILSYYDSQDDVCKGSKGSIKMAVCEIKVHSADNTRMELIIPGEQHFYMKAVNAAERQRWLVALGSSK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .PLGSPEFMEGVLYKWTNYLTGWQPRWFVLDNGILSYYDSQDDVCKGSKGSIKMAVCEIKVHSADNTRMELIIPGEQHFYMKAVNAAERQRWLVALGSSK -----100 ASLTDTRT |||||||| ASLTDTRT
Dihedral angle restraints
----------------10--------20--------30--------40--------50--------60--------70--------80--------90-- GPLGSPEFMEGVLYKWTNYLTGWQPRWFVLDNGILSYYDSQDDVCKGSKGSIKMAVCEIKVHSADNTRMELIIPGEQHFYMKAVNAAERQRWLVALGSSK |||||||||| |||| |||||||||||||||||| |||| |||||||||||| ||||||| ||||||| ||||||||||||||| ......EFMEGVLYKW.NYLT.WQPRWFVLDNGILSYYDS..DVCK....SIKMAVCEIKVH.....RMELIIP...HFYMKAV.AAERQRWLVALGSSK ----------------10--------20--------30--------40--------50--------60--------70--------80--------90-- -----100 ASLTDTRT | A -