MtRpsA_S4
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.6 % (964 of 1030) | 96.6 % (516 of 534) | 89.4 % (362 of 405) | 94.5 % (86 of 91) |
Backbone | 96.8 % (509 of 526) | 97.8 % (176 of 180) | 96.6 % (252 of 261) | 95.3 % (81 of 85) |
Sidechain | 91.7 % (538 of 587) | 96.0 % (340 of 354) | 85.0 % (193 of 227) | 83.3 % (5 of 6) |
Aromatic | 46.6 % (27 of 58) | 82.8 % (24 of 29) | 7.1 % (2 of 28) | 100.0 % (1 of 1) |
Methyl | 95.9 % (117 of 122) | 100.0 % (61 of 61) | 91.8 % (56 of 61) |
1. entity
QEDPWRHFAR THAIGQIVPG KVTKLVPFGA FVRVEEGIEG LVHISELAER HVEVPDQVVA VGDDAMVKVI DIDLERRRIS LSLKQANEDSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MtRpsA_S4 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MtRpsA_S4 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_26725_5ie8.nef |
Input source #2: Coordindates | 5ie8.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
280-----290-------300-------310-------320-------330-------340-------350-------360-------- QEDPWRHFARTHAIGQIVPGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANED ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QEDPWRHFARTHAIGQIVPGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANED --------10--------20--------30--------40--------50--------60--------70--------80---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 89 | 0 | 0 | 100.0 |
Content subtype: combined_26725_5ie8.nef
Assigned chemical shifts
280-----290-------300-------310-------320-------330-------340-------350-------360-------- QEDPWRHFARTHAIGQIVPGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANED ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QEDPWRHFARTHAIGQIVPGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANED
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
281 | GLU | HE2 | 4.813 |
282 | ASP | HD2 | 4.136 |
285 | ARG | HH12 | 8.633 |
285 | ARG | HH11 | 8.569 |
286 | HIS | HD1 | 7.931 |
289 | ARG | HH11 | 7.204 |
290 | THR | HG1 | 4.189 |
291 | HIS | HD1 | 7.806 |
300 | LYS | HZ1 | 8.936 |
300 | LYS | HZ2 | 8.936 |
300 | LYS | HZ3 | 8.936 |
302 | THR | HG1 | 6.898 |
303 | LYS | HZ1 | 9.333 |
303 | LYS | HZ2 | 9.333 |
303 | LYS | HZ3 | 9.333 |
312 | ARG | HH11 | 8.205 |
312 | ARG | HH22 | 8.705 |
312 | ARG | HH21 | 7.674 |
314 | GLU | HE2 | 3.1 |
315 | GLU | HE2 | 4.811 |
322 | HIS | HD1 | 8.595 |
322 | HIS | HE2 | 8.027 |
322 | HIS | ND1 | 124.084 |
324 | SER | HG | 4.434 |
325 | GLU | HE2 | 7.134 |
328 | GLU | HE2 | 4.811 |
329 | ARG | HH12 | 8.965 |
329 | ARG | HH11 | 8.851 |
329 | ARG | HH21 | 8.134 |
329 | ARG | HH22 | 8.425 |
330 | HIS | HE2 | 7.88 |
332 | GLU | HE2 | 0.801 |
335 | ASP | HD2 | 7.652 |
343 | ASP | HD2 | 5.194 |
347 | LYS | HZ1 | 8.814 |
347 | LYS | HZ2 | 8.814 |
347 | LYS | HZ3 | 8.814 |
350 | ASP | HD2 | 3.482 |
354 | GLU | HE2 | 4.527 |
355 | ARG | HH11 | 8.178 |
355 | ARG | HH21 | 8.61 |
356 | ARG | HH11 | 6.995 |
356 | ARG | HH12 | 8.27 |
356 | ARG | HH21 | 8.247 |
356 | ARG | HH22 | 8.406 |
357 | ARG | HH11 | 8.634 |
359 | SER | HG | 4.295 |
361 | SER | HG | 4.801 |
363 | LYS | HZ1 | 7.363 |
363 | LYS | HZ2 | 7.363 |
363 | LYS | HZ3 | 7.363 |
367 | GLU | HE2 | 4.744 |
368 | ASP | HD2 | 5.194 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 534 | 514 | 96.3 |
13C chemical shifts | 405 | 355 | 87.7 |
15N chemical shifts | 98 | 86 | 87.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 180 | 175 | 97.2 |
13C chemical shifts | 178 | 168 | 94.4 |
15N chemical shifts | 85 | 80 | 94.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 354 | 339 | 95.8 |
13C chemical shifts | 227 | 187 | 82.4 |
15N chemical shifts | 13 | 6 | 46.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 62 | 62 | 100.0 |
13C chemical shifts | 62 | 57 | 91.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 29 | 24 | 82.8 |
13C chemical shifts | 28 | 0 | 0.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
280-----290-------300-------310-------320-------330-------340-------350-------360-------- QEDPWRHFARTHAIGQIVPGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANED ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QEDPWRHFARTHAIGQIVPGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANED
Dihedral angle restraints
280-----290-------300-------310-------320-------330-------340-------350-------360-------- QEDPWRHFARTHAIGQIVPGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANED |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....RHFARTHAIGQIVPGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANED