Solution structure of Ras Binding Domain (RBD) of B-Raf
GSLEVLFQGP SPQKPIVRVF LPNKQRTVVP ARCGVTVRDS LKKALMMRGL IPECCAVYRI QDGEKKPIGW DTDISWLTGE ELHVEVLENV PL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.1 % (918 of 1091) | 83.4 % (477 of 572) | 85.5 % (365 of 427) | 82.6 % (76 of 92) |
Backbone | 85.6 % (459 of 536) | 84.7 % (155 of 183) | 86.6 % (233 of 269) | 84.5 % (71 of 84) |
Sidechain | 83.3 % (533 of 640) | 82.8 % (322 of 389) | 84.8 % (206 of 243) | 62.5 % (5 of 8) |
Aromatic | 67.9 % (38 of 56) | 67.9 % (19 of 28) | 65.4 % (17 of 26) | 100.0 % (2 of 2) |
Methyl | 86.4 % (102 of 118) | 86.4 % (51 of 59) | 86.4 % (51 of 59) |
1. entity 1
GSLEVLFQGP SPQKPIVRVF LPNKQRTVVP ARCGVTVRDS LKKALMMRGL IPECCAVYRI QDGEKKPIGW DTDISWLTGE ELHVEVLENV PLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | B-RAF RBD | [U-99% 15N] | 200 uM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.75 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.75 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.75 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.75 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | B-RAF RBD | [U-99% 15N] | 200 uM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-99% 15N] B-RAF RBD, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | B-RAF RBD | [U-99% 13C; U-99% 15N] | 200 uM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_30047_5j17.nef |
Input source #2: Coordindates | 5j17.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
-------150-------160-------170-------180-------190-------200-------210-------220-------230-- GSLEVLFQGPSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSLEVLFQGPSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPL --------10--------20--------30--------40--------50--------60--------70--------80--------90--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 92 | 0 | 0 | 100.0 |
Content subtype: combined_30047_5j17.nef
Assigned chemical shifts
-------150-------160-------170-------180-------190-------200-------210-------220-------230-- GSLEVLFQGPSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPL ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .........PSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENV -------150-------160-------170-------180-------190-------200-------210-------220-------230
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 572 | 482 | 84.3 |
13C chemical shifts | 427 | 365 | 85.5 |
15N chemical shifts | 98 | 76 | 77.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 183 | 157 | 85.8 |
13C chemical shifts | 184 | 159 | 86.4 |
15N chemical shifts | 84 | 71 | 84.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 389 | 325 | 83.5 |
13C chemical shifts | 243 | 206 | 84.8 |
15N chemical shifts | 14 | 5 | 35.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 53 | 86.9 |
13C chemical shifts | 61 | 53 | 86.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 28 | 19 | 67.9 |
13C chemical shifts | 26 | 17 | 65.4 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
-------150-------160-------170-------180-------190-------200-------210-------220-------230-- GSLEVLFQGPSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..........SPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENV -------150-------160-------170-------180-------190-------200-------210-------220-------230
-------150-------160-------170-------180-------190-------200-------210-------220-------230-- GSLEVLFQGPSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPL ||||||||||||||||||| |||||||||||||||||||||| |||||||| |||||| |||| ||| |||||||| | ...........PQKPIVRVFLPNKQRTVVP.RCGVTVRDSLKKALMMRGLIPE.CAVYRIQD.EKKPIG.DTDI.WLT.EELHVEVL..V -------150-------160-------170-------180-------190-------200-------210-------220-------230