NMR assignments of the CUS-3 phage coat protein insertion domain.
MASGSTESLT VSGQPEHKVE AKDSNGMPVD NRQGTITVSA SGLQVGDAFT IAGVNSVHQI TKDTTGQPQV FRVLAVSGTT VTISPKILPV ENTDVASRPY ANVDAKPAES AAITILNKLE HHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.6 % (1201 of 1356) | 88.6 % (613 of 692) | 87.6 % (467 of 533) | 92.4 % (121 of 131) |
Backbone | 91.5 % (679 of 742) | 90.9 % (231 of 254) | 91.9 % (339 of 369) | 91.6 % (109 of 119) |
Sidechain | 86.0 % (629 of 731) | 87.2 % (382 of 438) | 83.6 % (235 of 281) | 100.0 % (12 of 12) |
Aromatic | 30.0 % (18 of 60) | 60.0 % (18 of 30) | 0.0 % (0 of 30) | |
Methyl | 89.9 % (142 of 158) | 84.8 % (67 of 79) | 94.9 % (75 of 79) |
1. CUS-3id
MASGSTESLT VSGQPEHKVE AKDSNGMPVD NRQGTITVSA SGLQVGDAFT IAGVNSVHQI TKDTTGQPQV FRVLAVSGTT VTISPKILPV ENTDVASRPY ANVDAKPAES AAITILNKLE HHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | insertion domain | [U-100% 15N] | 1.9 mM | |
2 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
6 | D2O | natural abundance | 100 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 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 | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 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 | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 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 | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | insertion domain | [U-100% 15N] | 1.9 mM | |
2 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | insertion domain | [U-100% 15N] | 1.9 mM | |
2 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | insertion domain | [U-100% 15N] | 1.9 mM | |
2 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | insertion domain | [U-100% 15N] | 1.9 mM | |
2 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | insertion domain | [U-100% 15N] | 1.9 mM | |
2 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | insertion domain | [U-100% 15N] | 1.9 mM | |
2 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
6 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
6 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
6 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
6 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
6 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | insertion domain | [U-100% 13C; U-100% 15N] | 1.9 mM | |
6 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_25263_6mnt.nef |
Input source #2: Coordindates | 6mnt.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
220-----230-------240-------250-------260-------270-------280-------290-------300-------310-------32 MASGSTESLTVSGQPEHKVEAKDSNGMPVDNRQGTITVSASGLQVGDAFTIAGVNSVHQITKDTTGQPQVFRVLAVSGTTVTISPKILPVENTDVASRPY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MASGSTESLTVSGQPEHKVEAKDSNGMPVDNRQGTITVSASGLQVGDAFTIAGVNSVHQITKDTTGQPQVFRVLAVSGTTVTISPKILPVENTDVASRPY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------330-------340----- ANVDAKPAESAAITILNKLEHHHHHH |||||||||||||||||||||||||| ANVDAKPAESAAITILNKLEHHHHHH -------110-------120------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 126 | 0 | 0 | 100.0 |
Content subtype: combined_25263_6mnt.nef
Assigned chemical shifts
220-----230-------240-------250-------260-------270-------280-------290-------300-------310-------32 MASGSTESLTVSGQPEHKVEAKDSNGMPVDNRQGTITVSASGLQVGDAFTIAGVNSVHQITKDTTGQPQVFRVLAVSGTTVTISPKILPVENTDVASRPY ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...GSTESLTVSGQPEHKVEAKDSNGMPVDNRQGTITVSASGLQVGDAFTIAGVNSVHQITKDTTGQPQVFRVLAVSGTTVTISPKILPVENTDVASRPY 220-----230-------240-------250-------260-------270-------280-------290-------300-------310-------32 0-------330-------340----- ANVDAKPAESAAITILNKLEHHHHHH |||||||||||||||||| ANVDAKPAESAAITILNK 0-------330-------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
236 | HIS | HD1 | 7.167 |
236 | HIS | HE2 | 8.002 |
277 | HIS | HD1 | 7.244 |
277 | HIS | HE2 | 8.387 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 692 | 608 | 87.9 |
13C chemical shifts | 533 | 461 | 86.5 |
15N chemical shifts | 134 | 119 | 88.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 254 | 231 | 90.9 |
13C chemical shifts | 252 | 229 | 90.9 |
15N chemical shifts | 119 | 107 | 89.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 438 | 377 | 86.1 |
13C chemical shifts | 281 | 232 | 82.6 |
15N chemical shifts | 15 | 12 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 81 | 65 | 80.2 |
13C chemical shifts | 81 | 75 | 92.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 30 | 18 | 60.0 |
13C chemical shifts | 30 | 0 | 0.0 |
Distance restraints
220-----230-------240-------250-------260-------270-------280-------290-------300-------310-------32 MASGSTESLTVSGQPEHKVEAKDSNGMPVDNRQGTITVSASGLQVGDAFTIAGVNSVHQITKDTTGQPQVFRVLAVSGTTVTISPKILPVENTDVASRPY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....STESLTVSGQPEHKVEAKDSNGMPVDNRQGTITVSASGLQVGDAFTIAGVNSVHQITKDTTGQPQVFRVLAVSGTTVTISPKILPVENTDVASRPY 220-----230-------240-------250-------260-------270-------280-------290-------300-------310-------32 0-------330-------340----- ANVDAKPAESAAITILNKLEHHHHHH |||||||||||||||||| ANVDAKPAESAAITILNK 0-------330-------