Zika virus capsid protein
MKNPKKKSGG FRIVNMLKRG VARVSPFGGL KRLPAGLLLG HGPIRMVLAI LAFLRFTAIK PSLGLINRWG SVGKKEAMEI IKKFKKDLAA MLRIINARKE KKRR
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.9 % (1157 of 1302) | 86.6 % (602 of 695) | 90.9 % (457 of 503) | 94.2 % (98 of 104) |
Backbone | 97.2 % (597 of 614) | 95.8 % (205 of 214) | 98.0 % (295 of 301) | 98.0 % (97 of 99) |
Sidechain | 83.4 % (651 of 781) | 82.5 % (397 of 481) | 85.8 % (253 of 295) | 20.0 % (1 of 5) |
Aromatic | 24.2 % (16 of 66) | 24.2 % (8 of 33) | 21.9 % (7 of 32) | 100.0 % (1 of 1) |
Methyl | 100.0 % (128 of 128) | 100.0 % (64 of 64) | 100.0 % (64 of 64) |
1. entity 1
MKNPKKKSGG FRIVNMLKRG VARVSPFGGL KRLPAGLLLG HGPIRMVLAI LAFLRFTAIK PSLGLINRWG SVGKKEAMEI IKKFKKDLAA MLRIINARKE KKRRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
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 |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIIIHD - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIIIHD - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Bruker AvanceIIIHD - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details 300 uM [U-99% 13C; U-99% 15N] ZIKVC, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZIKVC | [U-99% 13C; U-99% 15N] | 300 (±0.1) uM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30397_6c44.nef |
Input source #2: Coordindates | 6c44.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 MKNPKKKSGGFRIVNMLKRGVARVSPFGGLKRLPAGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINARKE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKNPKKKSGGFRIVNMLKRGVARVSPFGGLKRLPAGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINARKE ---- KKRR |||| KKRR
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKNPKKKSGGFRIVNMLKRGVARVSPFGGLKRLPAGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINARKE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKNPKKKSGGFRIVNMLKRGVARVSPFGGLKRLPAGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINARKE ---- KKRR |||| KKRR
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 104 | 0 | 0 | 100.0 |
B | B | 104 | 0 | 0 | 100.0 |
Content subtype: combined_30397_6c44.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKNPKKKSGGFRIVNMLKRGVARVSPFGGLKRLPAGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINARKE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKNPKKKSGGFRIVNMLKRGVARVSPFGGLKRLPAGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINARKE ---- KKRR |||| KKRR
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 695 | 614 | 88.3 |
13C chemical shifts | 503 | 459 | 91.3 |
15N chemical shifts | 115 | 98 | 85.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 214 | 209 | 97.7 |
13C chemical shifts | 208 | 205 | 98.6 |
15N chemical shifts | 99 | 97 | 98.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 481 | 405 | 84.2 |
13C chemical shifts | 295 | 254 | 86.1 |
15N chemical shifts | 16 | 1 | 6.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 69 | 68 | 98.6 |
13C chemical shifts | 69 | 68 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 33 | 8 | 24.2 |
13C chemical shifts | 32 | 7 | 21.9 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKNPKKKSGGFRIVNMLKRGVARVSPFGGLKRLPAGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINARKE |||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||| ..................................AGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIK.FKKDLAAMLRIINARKE ---- KKRR |||| KKRR
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKNPKKKSGGFRIVNMLKRGVARVSPFGGLKRLPAGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINARKE |||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||| ..................................AGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIK.FKKDLAAMLRIINARKE ---- KKRR |||| KKRR
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKNPKKKSGGFRIVNMLKRGVARVSPFGGLKRLPAGLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINARKE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...................................GLLLGHGPIRMVLAILAFLRFTAIKPSLGLINRWGSVGKKEAMEIIKKFKKDLAAMLRIINAR --------10--------20--------30--------40--------50--------60--------70--------80--------90-------- ---- KKRR