Structural Basis of Receptor Sulfotyrosine Recognition by a CC Chemokine: the N-terminal Region of CCR3 Bound to CCL11/Eotaxin-1
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 74.3 % (778 of 1047) | 86.1 % (476 of 553) | 57.7 % (235 of 407) | 77.0 % (67 of 87) |
Backbone | 67.4 % (345 of 512) | 82.6 % (142 of 172) | 54.6 % (142 of 260) | 76.2 % (61 of 80) |
Sidechain | 80.6 % (499 of 619) | 87.7 % (334 of 381) | 68.8 % (159 of 231) | 85.7 % (6 of 7) |
Aromatic | 44.8 % (26 of 58) | 86.2 % (25 of 29) | 0.0 % (0 of 28) | 100.0 % (1 of 1) |
Methyl | 82.2 % (74 of 90) | 95.6 % (43 of 45) | 68.9 % (31 of 45) |
1. entity 1
GPASVPTTCC FNLANRKIPL QRLESYRRIT SGKCPQKAVI FKTKLAKDIC ADPKKKWVQD SMKYLDQKSP TPKP2. entity 2
VETFGTTSXX DDVGLLSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Varian INOVA - 600 MHz equipped with triple-resonance cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±0.1) K, pH 7.0 (±0.1), Details 0.2-0.4 mM 13C15N CCL11/ Eotaxin-1 in a 1:1 or binary complex with CCR3 Su1617 (residues 8-23) sulfopeptide. 20 mM sodium acetate-d6 (pH 6.5) containing 5% v/v D2O, 0.02% sodium azide as preservative and 20 uM DSS as internal standard.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CCL11/Eotaxin-1 | [U-100% 13C; U-100% 15N] | 0.2 ~ 0.4 mM | |
2 | CCR3 Su1617 sulfopeptide | natural abundance | 0.2 ~ 0.4 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | [U-100% 2H] | 5 % | |
5 | sodium acetate-d6 | [U-100% 2H] | 20 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | DSS | natural abundance | 20 uM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19989_2mpm.nef |
Input source #2: Coordindates | 2mpm.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 | True (see coodinates for details) |
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:9:CYS:SG | A:34:CYS:SG | unknown | oxidized, CA 51.057, CB 37.22 ppm | 2.02 |
A:10:CYS:SG | A:50:CYS:SG | unknown | oxidized, CA 57.733, CB 46.567 ppm | 2.021 |
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Ã…) |
---|---|---|---|---|
2:8:SER:C | 2:9:TYS:N | unknown | unknown | n/a |
2:9:TYS:C | 2:10:TYS:N | unknown | unknown | n/a |
2:10:TYS:C | 2:11:ASP:N | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 216 | TYS | O-SULFO-L-TYROSINE | Assigned chemical shifts, Distance restraints, Coordinates |
B | 217 | TYS | O-SULFO-L-TYROSINE | Assigned chemical shifts, Distance restraints, Coordinates |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70---- GPASVPTTCCFNLANRKIPLQRLESYRRITSGKCPQKAVIFKTKLAKDICADPKKKWVQDSMKYLDQKSPTPKP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPASVPTTCCFNLANRKIPLQRLESYRRITSGKCPQKAVIFKTKLAKDICADPKKKWVQDSMKYLDQKSPTPKP
--210-----220--- VETFGTTSXXDDVGLL |||||||||||||||| VETFGTTSXXDDVGLL --------10------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 74 | 0 | 0 | 100.0 |
B | B | 16 | 0 | 0 | 100.0 |
Content subtype: combined_19989_2mpm.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70---- GPASVPTTCCFNLANRKIPLQRLESYRRITSGKCPQKAVIFKTKLAKDICADPKKKWVQDSMKYLDQKSPTPKP |||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPASVP....FNLANRKIPLQRLESYRRITSGKCPQKAVIFKTKLAKDICADPKKKWVQDSMKYLDQKSPTPKP
--210-----220--- VETFGTTSXXDDVGLL |||||||||||||||| VETFGTTSXXDDVGLL
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
2 | PRO | N | 134.478 |
6 | PRO | N | 139.629 |
19 | PRO | N | 139.109 |
35 | PRO | N | 134.735 |
53 | PRO | N | 134.852 |
70 | PRO | N | 138.38 |
72 | PRO | N | 139.756 |
74 | PRO | N | 142.905 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 484 | 413 | 85.3 |
13C chemical shifts | 348 | 225 | 64.7 |
15N chemical shifts | 77 | 66 | 85.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 142 | 118 | 83.1 |
13C chemical shifts | 148 | 68 | 45.9 |
15N chemical shifts | 66 | 60 | 90.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 342 | 295 | 86.3 |
13C chemical shifts | 200 | 157 | 78.5 |
15N chemical shifts | 11 | 6 | 54.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 33 | 94.3 |
13C chemical shifts | 35 | 31 | 88.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 24 | 20 | 83.3 |
13C chemical shifts | 23 | 0 | 0.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 85 | 75 | 88.2 |
13C chemical shifts | 69 | 0 | 0.0 |
15N chemical shifts | 16 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 34 | 25 | 73.5 |
13C chemical shifts | 32 | 0 | 0.0 |
15N chemical shifts | 16 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 51 | 50 | 98.0 |
13C chemical shifts | 37 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 11 | 11 | 100.0 |
13C chemical shifts | 11 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 13 | 13 | 100.0 |
13C chemical shifts | 9 | 0 | 0.0 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70---- GPASVPTTCCFNLANRKIPLQRLESYRRITSGKCPQKAVIFKTKLAKDICADPKKKWVQDSMKYLDQKSPTPKP |||||| ||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||| GPASVP.....NLANRKIPLQRLESYRRIT...CPQKAVIFKTKLAKDICADPKKKWVQDSMKYLDQKSPTPK --------10--------20--------30--------40--------50--------60--------70---
--210-----220--- VETFGTTSXXDDVGLL |||||||||||||| ..TFGTTSXXDDVGLL
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70---- GPASVPTTCCFNLANRKIPLQRLESYRRITSGKCPQKAVIFKTKLAKDICADPKKKWVQDSMKYLDQKSPTPKP ||||| ||||| |||||||| ||||||| |||||||||||||| ..................PLQRL.SYRRI.......KAVIFKTK..KDICADP.KKWVQDSMKYLDQK --------10--------20--------30--------40--------50--------60--------