HlyII-C major cis form
DNQKALEEQM NSINSVNDKL NKGKGKLSLS MNGNQLKATS SNAGYGISYE DKNWGIFVNG EKVYTFNEKS TVGNISNDIN KLNIKGPYIE IKQI
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 94.0 % (1043 of 1109) | 95.7 % (559 of 584) | 90.0 % (371 of 412) | 100.0 % (113 of 113) |
Backbone | 99.3 % (558 of 562) | 99.0 % (194 of 196) | 99.3 % (271 of 273) | 100.0 % (93 of 93) |
Sidechain | 90.0 % (569 of 632) | 94.1 % (365 of 388) | 82.1 % (184 of 224) | 100.0 % (20 of 20) |
Aromatic | 51.6 % (33 of 64) | 100.0 % (32 of 32) | 0.0 % (0 of 31) | 100.0 % (1 of 1) |
Methyl | 95.5 % (84 of 88) | 95.5 % (42 of 44) | 95.5 % (42 of 44) |
1. HlyIIC-cis (major)
DNQKALEEQM NSINSVNDKL NKGKGKLSLS MNGNQLKATS SNAGYGISYE DKNWGIFVNG EKVYTFNEKS TVGNISNDIN KLNIKGPYIE IKQISolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HlyIIC-cis | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | AEBSF | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.05 % w/v |
Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HlyIIC-cis | [U-99% 15N] | 1.0 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | AEBSF | natural abundance | 1 mM | |
10 | sodium azide | natural abundance | 0.05 % w/v |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HlyIIC-cis | [U-99% 15N] | 1.0 mM | |
12 | sodium phosphate | natural abundance | 20 mM | |
13 | EDTA | natural abundance | 1 mM | |
14 | AEBSF | natural abundance | 1 mM | |
15 | sodium azide | natural abundance | 0.05 % w/v |
Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | HlyIIC-cis | [U-99% 13C; U-99% 15N] | 1.0 mM | |
17 | sodium phosphate | natural abundance | 20 mM | |
18 | EDTA | natural abundance | 1 mM | |
19 | AEBSF | natural abundance | 1 mM | |
20 | sodium azide | natural abundance | 0.05 % w/v |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HlyIIC-cis | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | AEBSF | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HlyIIC-cis | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | AEBSF | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HlyIIC-cis | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | AEBSF | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HlyIIC-cis | [U-99% 13C; U-99% 15N] | 1.0 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | EDTA | natural abundance | 1 mM | |
4 | AEBSF | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HlyIIC-cis | [U-99% 15N] | 1.0 mM | |
12 | sodium phosphate | natural abundance | 20 mM | |
13 | EDTA | natural abundance | 1 mM | |
14 | AEBSF | natural abundance | 1 mM | |
15 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | HlyIIC-cis | [U-99% 13C; U-99% 15N] | 1.0 mM | |
17 | sodium phosphate | natural abundance | 20 mM | |
18 | EDTA | natural abundance | 1 mM | |
19 | AEBSF | natural abundance | 1 mM | |
20 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HlyIIC-cis | [U-99% 15N] | 1.0 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | AEBSF | natural abundance | 1 mM | |
10 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | HlyIIC-cis | [U-99% 13C; U-99% 15N] | 1.0 mM | |
17 | sodium phosphate | natural abundance | 20 mM | |
18 | EDTA | natural abundance | 1 mM | |
19 | AEBSF | natural abundance | 1 mM | |
20 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | HlyIIC-cis | [U-99% 13C; U-99% 15N] | 1.0 mM | |
17 | sodium phosphate | natural abundance | 20 mM | |
18 | EDTA | natural abundance | 1 mM | |
19 | AEBSF | natural abundance | 1 mM | |
20 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HlyIIC-cis | [U-99% 15N] | 1.0 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | AEBSF | natural abundance | 1 mM | |
10 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HlyIIC-cis | [U-99% 15N] | 1.0 mM | |
12 | sodium phosphate | natural abundance | 20 mM | |
13 | EDTA | natural abundance | 1 mM | |
14 | AEBSF | natural abundance | 1 mM | |
15 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HlyIIC-cis | [U-99% 15N] | 1.0 mM | |
12 | sodium phosphate | natural abundance | 20 mM | |
13 | EDTA | natural abundance | 1 mM | |
14 | AEBSF | natural abundance | 1 mM | |
15 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | HlyIIC-cis | [U-99% 13C; U-99% 15N] | 1.0 mM | |
17 | sodium phosphate | natural abundance | 20 mM | |
18 | EDTA | natural abundance | 1 mM | |
19 | AEBSF | natural abundance | 1 mM | |
20 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HlyIIC-cis | [U-99% 15N] | 1.0 mM | |
12 | sodium phosphate | natural abundance | 20 mM | |
13 | EDTA | natural abundance | 1 mM | |
14 | AEBSF | natural abundance | 1 mM | |
15 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HlyIIC-cis | [U-99% 15N] | 1.0 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | AEBSF | natural abundance | 1 mM | |
10 | sodium azide | natural abundance | 0.05 % w/v |
Varian INOVA - 800 MHz with cryoprobe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HlyIIC-cis | [U-99% 15N] | 1.0 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | AEBSF | natural abundance | 1 mM | |
10 | sodium azide | natural abundance | 0.05 % w/v |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19461_6d5z.nef |
Input source #2: Coordindates | 6d5z.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
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
D | D | 98 | 0 | 0 | 100.0 |
Content subtype: combined_19461_6d5z.nef
Assigned chemical shifts
------------10--------20--------30--------40--------50--------60--------70--------80--------90---- GSHMDNQKALEEQMNSINSVNDKLNKGKGKLSLSMNGNQLKATSSNAGYGISYEDKNWGIFVNGEKVYTFNEKSTVGNISNDINKLNIKGPYIEIKQI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....DNQKALEEQMNSINSVNDKLNKGKGKLSLSMNGNQLKATSSNAGYGISYEDKNWGIFVNGEKVYTFNEKSTVGNISNDINKLNIKGPYIEIKQI
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 604 | 555 | 91.9 |
13C chemical shifts | 427 | 371 | 86.9 |
15N chemical shifts | 117 | 113 | 96.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 205 | 194 | 94.6 |
13C chemical shifts | 196 | 187 | 95.4 |
15N chemical shifts | 97 | 93 | 95.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 399 | 361 | 90.5 |
13C chemical shifts | 231 | 184 | 79.7 |
15N chemical shifts | 20 | 20 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 47 | 42 | 89.4 |
13C chemical shifts | 47 | 42 | 89.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 34 | 32 | 94.1 |
13C chemical shifts | 33 | 0 | 0.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
------------10--------20--------30--------40--------50--------60--------70--------80--------90---- GSHMDNQKALEEQMNSINSVNDKLNKGKGKLSLSMNGNQLKATSSNAGYGISYEDKNWGIFVNGEKVYTFNEKSTVGNISNDINKLNIKGPYIEIKQI || ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .......KA..EQMNSINSVNDKLNKGKGKLSLSMNGNQLKATSSNAGYGISYEDKNWGIFVNGEKVYTFNEKSTVGNISNDINKLNIKGPYIEIKQI
Dihedral angle restraints
------------10--------20--------30--------40--------50--------60--------70--------80--------90---- GSHMDNQKALEEQMNSINSVNDKLNKGKGKLSLSMNGNQLKATSSNAGYGISYEDKNWGIFVNGEKVYTFNEKSTVGNISNDINKLNIKGPYIEIKQI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....NQKALEEQMNSINSVNDKLNKGKGKLSLSMNGNQLKATSSNAGYGISYEDKNWGIFVNGEKVYTFNEKSTVGNISNDINKLNIKGPYIEIKQ ------------10--------20--------30--------40--------50--------60--------70--------80--------90---