SOLUTION STRUCTURE OF THE FACTOR H BINDING PROTEIN
MVAADIGAGL ADALTAPLDH KDKGLQSLTL DQSVRKNEKL KLAAQGAEKT YGNGDSLNTG KLKNDKVSRF DFIRQIEVDG QLITLESGEF QVYKQSHSAL TAFQTEQIQD SEHSGKMVAK RQFRIGDIAG EHTSFDKLPE GGRATYRGTA FGSDDAGGKL TYTIDFAAKQ GNGKIEHLKS PELNVDLAAA DIKPDGKRHA VISGSVLYNQ AEKGSYSLGI FGGKAQEVAG SAEVKTVNGI RHIGLAAKQH HHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.6 % (2588 of 2855) | 92.9 % (1375 of 1480) | 86.6 % (953 of 1101) | 94.9 % (260 of 274) |
Backbone | 95.5 % (1453 of 1522) | 95.7 % (512 of 535) | 94.8 % (698 of 736) | 96.8 % (243 of 251) |
Sidechain | 86.7 % (1352 of 1559) | 91.3 % (863 of 945) | 79.9 % (472 of 591) | 73.9 % (17 of 23) |
Aromatic | 48.9 % (93 of 190) | 83.2 % (79 of 95) | 14.7 % (14 of 95) | |
Methyl | 94.4 % (255 of 270) | 97.0 % (131 of 135) | 91.9 % (124 of 135) |
1. Factor H-binding Protein
MVAADIGAGL ADALTAPLDH KDKGLQSLTL DQSVRKNEKL KLAAQGAEKT YGNGDSLNTG KLKNDKVSRF DFIRQIEVDG QLITLESGEF QVYKQSHSAL TAFQTEQIQD SEHSGKMVAK RQFRIGDIAG EHTSFDKLPE GGRATYRGTA FGSDDAGGKL TYTIDFAAKQ GNGKIEHLKS PELNVDLAAA DIKPDGKRHA VISGSVLYNQ AEKGSYSLGI FGGKAQEVAG SAEVKTVNGI RHIGLAAKQH HHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.4 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-98% 13C; U-98% 15N] | 0.5 (±0.1) mM | |
6 | potassium phosphate | natural abundance | 50 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | entity | natural abundance | 0.8 (±0.1) mM | |
10 | potassium phosphate | natural abundance | 50 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | dioxane | methyl carbon | 69.4 ppm | external | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | dioxane | methyl carbon | 69.4 ppm | external | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | dioxane | methyl carbon | 69.4 ppm | external | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | dioxane | methyl carbon | 69.4 ppm | external | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-98% 13C; U-98% 15N] | 0.5 (±0.1) mM | |
6 | potassium phosphate | natural abundance | 50 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-98% 13C; U-98% 15N] | 0.5 (±0.1) mM | |
6 | potassium phosphate | natural abundance | 50 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | entity | natural abundance | 0.8 (±0.1) mM | |
10 | potassium phosphate | natural abundance | 50 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.4 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.4 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.4 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.4 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-98% 13C; U-98% 15N] | 0.5 (±0.1) mM | |
6 | potassium phosphate | natural abundance | 50 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-98% 13C; U-98% 15N] | 0.5 (±0.1) mM | |
6 | potassium phosphate | natural abundance | 50 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-98% 13C; U-98% 15N] | 0.5 (±0.1) mM | |
6 | potassium phosphate | natural abundance | 50 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16058_2kc0.nef |
Input source #2: Coordindates | 2kc0.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-------100------ MVAADIGAGLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSAL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MVAADIGAGLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSAL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -110-------120-------130-------140-------150-------160-------170-------180-------190-------200------ TAFQTEQIQDSEHSGKMVAKRQFRIGDIAGEHTSFDKLPEGGRATYRGTAFGSDDAGGKLTYTIDFAAKQGNGKIEHLKSPELNVDLAAADIKPDGKRHA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| TAFQTEQIQDSEHSGKMVAKRQFRIGDIAGEHTSFDKLPEGGRATYRGTAFGSDDAGGKLTYTIDFAAKQGNGKIEHLKSPELNVDLAAADIKPDGKRHA -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 -210-------220-------230-------240-------250-------260- VISGSVLYNQAEKGSYSLGIFGGKAQEVAGSAEVKTVNGIRHIGLAAKQHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||| VISGSVLYNQAEKGSYSLGIFGGKAQEVAGSAEVKTVNGIRHIGLAAKQHHHHHH -------210-------220-------230-------240-------250-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 255 | 0 | 0 | 100.0 |
Content subtype: combined_16058_2kc0.nef
Assigned chemical shifts
--10--------20--------30--------40--------50--------60--------70--------80--------90-------100------ MVAADIGAGLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSAL ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .VAADIGAGLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSAL --10--------20--------30--------40--------50--------60--------70--------80--------90-------100------ -110-------120-------130-------140-------150-------160-------170-------180-------190-------200------ TAFQTEQIQDSEHSGKMVAKRQFRIGDIAGEHTSFDKLPEGGRATYRGTAFGSDDAGGKLTYTIDFAAKQGNGKIEHLKSPELNVDLAAADIKPDGKRHA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||| TAFQTEQIQDSEHSGKMVAKRQFRIGDIAGEHTSFDKLPEGGRATYRGTAFGSDDAGGKLTYTIDFAAKQGNGKIEHLKSPELNVDLAAADIK.DGKRHA -110-------120-------130-------140-------150-------160-------170-------180-------190-------200------ -210-------220-------230-------240-------250-------260- VISGSVLYNQAEKGSYSLGIFGGKAQEVAGSAEVKTVNGIRHIGLAAKQHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||| VISGSVLYNQAEKGSYSLGIFGGKAQEVAGSAEVKTVNGIRHIGLAAKQH -210-------220-------230-------240-------250------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
222 | TYR | HH | 7.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1480 | 1364 | 92.2 |
13C chemical shifts | 1101 | 932 | 84.7 |
15N chemical shifts | 283 | 257 | 90.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 535 | 516 | 96.4 |
13C chemical shifts | 510 | 479 | 93.9 |
15N chemical shifts | 251 | 241 | 96.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 945 | 848 | 89.7 |
13C chemical shifts | 591 | 453 | 76.6 |
15N chemical shifts | 32 | 16 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 137 | 132 | 96.4 |
13C chemical shifts | 137 | 124 | 90.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 95 | 77 | 81.1 |
13C chemical shifts | 95 | 0 | 0.0 |
Distance restraints
--10--------20--------30--------40--------50--------60--------70--------80--------90-------100------ MVAADIGAGLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSAL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..AADIGAGLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSAL --10--------20--------30--------40--------50--------60--------70--------80--------90-------100------ -110-------120-------130-------140-------150-------160-------170-------180-------190-------200------ TAFQTEQIQDSEHSGKMVAKRQFRIGDIAGEHTSFDKLPEGGRATYRGTAFGSDDAGGKLTYTIDFAAKQGNGKIEHLKSPELNVDLAAADIKPDGKRHA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||| TAFQTEQIQDSEHSGKMVAKRQFRIGDIAGEHTSFDKLPEGGRATYRGTAFGSDDAGGKLTYTIDFAAKQGNGKIEHLKSPELNVDLAAADIK.DGKRHA -110-------120-------130-------140-------150-------160-------170-------180-------190-------200------ -210-------220-------230-------240-------250-------260- VISGSVLYNQAEKGSYSLGIFGGKAQEVAGSAEVKTVNGIRHIGLAAKQHHHHHH |||||||||||||||||||||| ||||||||||||||||||||||||||| VISGSVLYNQAEKGSYSLGIFG.KAQEVAGSAEVKTVNGIRHIGLAAKQH -210-------220-------230-------240-------250------
Dihedral angle restraints
--10--------20--------30--------40--------50--------60--------70--------80--------90-------100------ MVAADIGAGLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSAL ||| ||||||||| ||||||||||||||||||||||||||||| ||||| ||||||||||||||||||||||||||||||| ||| MVA....AGLADALTA.......GLQSLTLDQSVRKNEKLKLAAQGAEKTYG..DSLNT.....DKVSRFDFIRQIEVDGQLITLESGEFQVYKQ..SAL --10--------20--------30--------40--------50--------60--------70--------80--------90-------100------ -110-------120-------130-------140-------150-------160-------170-------180-------190-------200------ TAFQTEQIQDSEHSGKMVAKRQFRIGDIAGEHTSFDKLPEGGRATYRGTAFGSDDAGGKLTYTIDFAAKQGNGKIEHLKSPELNVDLAAADIKPDGKRHA ||||||||||| ||||||||||||||||||||| |||||||||||| ||||||||||||||||||| ||||||||||||||||| ||||| TAFQTEQIQDS.....MVAKRQFRIGDIAGEHTSFDK....GRATYRGTAFGS....GKLTYTIDFAAKQGNGKIE.LKSPELNVDLAAADIKP.GKRHA -110-------120-------130-------140-------150-------160-------170-------180-------190-------200------ -210-------220-------230-------240-------250-------260- VISGSVLYNQAEKGSYSLGIFGGKAQEVAGSAEVKTVNGIRHIGLAAKQHHHHHH |||||||||||||||||||||| |||||||||||||||||||||||||| VISGSVLYNQAEKGSYSLGIFG..AQEVAGSAEVKTVNGIRHIGLAAKQH -210-------220-------230-------240-------250------