Solution structure of Pf1 SID1-mSin3A PAH2 Complex
SNASLQNNQP VEFNHAINYV NKIKNRFQGQ PDIYKAFLEI LHTYQKEQRN AKEAGGNYTP ALTEQEVYAQ VARLFKNQED LLSEFGQFLP DANS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.1 % (1426 of 1656) | 85.5 % (743 of 869) | 86.6 % (545 of 629) | 87.3 % (138 of 158) |
Backbone | 96.3 % (786 of 816) | 97.1 % (266 of 274) | 95.1 % (392 of 412) | 98.5 % (128 of 130) |
Sidechain | 79.2 % (771 of 974) | 80.2 % (477 of 595) | 80.9 % (284 of 351) | 35.7 % (10 of 28) |
Aromatic | 33.1 % (45 of 136) | 55.9 % (38 of 68) | 10.3 % (7 of 68) | |
Methyl | 99.3 % (137 of 138) | 100.0 % (69 of 69) | 98.6 % (68 of 69) |
1. entity 1
SNADYVQPQL RRPFELLIAA AMERNPTQFQ LPNELTCTTA LPGSS2. entity 2
SNASLQNNQP VEFNHAINYV NKIKNRFQGQ PDIYKAFLEI LHTYQKEQRN AKEAGGNYTP ALTEQEVYAQ VARLFKNQED LLSEFGQFLP DANSSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.75 ~ 1.7 mM | |
2 | entity_2 | [U-100% 13C; U-100% 15N] | 0.75 ~ 1.7 mM | |
3 | H2O | [U-100% 13C; U-100% 15N] | 90 % | |
4 | D2O | [U-100% 13C; U-100% 15N] | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.75 ~ 1.7 mM | |
2 | entity_2 | [U-100% 13C; U-100% 15N] | 0.75 ~ 1.7 mM | |
3 | H2O | [U-100% 13C; U-100% 15N] | 90 % | |
4 | D2O | [U-100% 13C; U-100% 15N] | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.75 ~ 1.7 mM | |
2 | entity_2 | [U-100% 13C; U-100% 15N] | 0.75 ~ 1.7 mM | |
3 | H2O | [U-100% 13C; U-100% 15N] | 90 % | |
4 | D2O | [U-100% 13C; U-100% 15N] | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.00
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N] | 0.75 ~ 1.7 mM | |
2 | entity_2 | [U-100% 13C; U-100% 15N] | 0.75 ~ 1.7 mM | |
3 | H2O | [U-100% 13C; U-100% 15N] | 90 % | |
4 | D2O | [U-100% 13C; U-100% 15N] | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17485_2l9s.nef |
Input source #2: Coordindates | 2l9s.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
---200-----210-------220-------230-------240- SNADYVQPQLRRPFELLIAAAMERNPTQFQLPNELTCTTALPGSS ||||||||||||||||||||||||||||||||||||||||||||| SNADYVQPQLRRPFELLIAAAMERNPTQFQLPNELTCTTALPGSS --------10--------20--------30--------40-----
------300-------310-------320-------330-------340-------350-------360-------370-------380----- SNASLQNNQPVEFNHAINYVNKIKNRFQGQPDIYKAFLEILHTYQKEQRNAKEAGGNYTPALTEQEVYAQVARLFKNQEDLLSEFGQFLPDANS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SNASLQNNQPVEFNHAINYVNKIKNRFQGQPDIYKAFLEILHTYQKEQRNAKEAGGNYTPALTEQEVYAQVARLFKNQEDLLSEFGQFLPDANS --------10--------20--------30--------40--------50--------60--------70--------80--------90----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 45 | 0 | 0 | 100.0 |
B | B | 94 | 0 | 0 | 100.0 |
Content subtype: combined_17485_2l9s.nef
Assigned chemical shifts
---200-----210-------220-------230-------240- SNADYVQPQLRRPFELLIAAAMERNPTQFQLPNELTCTTALPGSS |||||||||||||||||||||||||||||||||||||||||||| .NADYVQPQLRRPFELLIAAAMERNPTQFQLPNELTCTTALPGSS
------300-------310-------320-------330-------340-------350-------360-------370-------380----- SNASLQNNQPVEFNHAINYVNKIKNRFQGQPDIYKAFLEILHTYQKEQRNAKEAGGNYTPALTEQEVYAQVARLFKNQEDLLSEFGQFLPDANS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .NASLQNNQPVEFNHAINYVNKIKNRFQGQPDIYKAFLEILHTYQKEQRNAKEAGGNYTPALTEQEVYAQVARLFKNQEDLLSEFGQFLPDANS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 271 | 233 | 86.0 |
13C chemical shifts | 200 | 178 | 89.0 |
15N chemical shifts | 50 | 47 | 94.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 86 | 82 | 95.3 |
13C chemical shifts | 90 | 80 | 88.9 |
15N chemical shifts | 40 | 38 | 95.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 185 | 151 | 81.6 |
13C chemical shifts | 110 | 98 | 89.1 |
15N chemical shifts | 10 | 9 | 90.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 26 | 26 | 100.0 |
13C chemical shifts | 26 | 25 | 96.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 14 | 8 | 57.1 |
13C chemical shifts | 14 | 7 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 598 | 493 | 82.4 |
13C chemical shifts | 429 | 367 | 85.5 |
15N chemical shifts | 114 | 89 | 78.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 188 | 185 | 98.4 |
13C chemical shifts | 188 | 181 | 96.3 |
15N chemical shifts | 90 | 88 | 97.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 410 | 308 | 75.1 |
13C chemical shifts | 241 | 186 | 77.2 |
15N chemical shifts | 24 | 1 | 4.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 44 | 44 | 100.0 |
13C chemical shifts | 44 | 44 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 54 | 30 | 55.6 |
13C chemical shifts | 54 | 0 | 0.0 |
Distance restraints
---200-----210-------220-------230-------240- SNADYVQPQLRRPFELLIAAAMERNPTQFQLPNELTCTTALPGSS |||||||||||||||||||||||||||||||||||||||||||| .NADYVQPQLRRPFELLIAAAMERNPTQFQLPNELTCTTALPGSS
------300-------310-------320-------330-------340-------350-------360-------370-------380----- SNASLQNNQPVEFNHAINYVNKIKNRFQGQPDIYKAFLEILHTYQKEQRNAKEAGGNYTPALTEQEVYAQVARLFKNQEDLLSEFGQFLPDANS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .NASLQNNQPVEFNHAINYVNKIKNRFQGQPDIYKAFLEILHTYQKEQRNAKEAGGNYTPALTEQEVYAQVARLFKNQEDLLSEFGQFLPDANS
------300-------310-------320-------330-------340-------350-------360-------370-------380----- SNASLQNNQPVEFNHAINYVNKIKNRFQGQPDIYKAFLEILHTYQKEQRNAKEAGGNYTPALTEQEVYAQVARLFKNQEDLLSEFGQFLPDANS ||||||||||||||| |||||||||||||||||||||| ||||||||||| |||||||| ..........VEFNHAINYVNKIKN......DIYKAFLEILHTYQKEQRNAKE..........EQEVYAQVARL....EDLLSEFG ------300-------310-------320-------330-------340-------350-------360-------370-------
Dihedral angle restraints
------300-------310-------320-------330-------340-------350-------360-------370-------380----- SNASLQNNQPVEFNHAINYVNKIKNRFQGQPDIYKAFLEILHTYQKEQRNAKEAGGNYTPALTEQEVYAQVARLFKNQEDLLSEFGQFLPDANS |||||||||||||||||| |||||||||||||||||||||||| ||||||||||||| |||||||||| .........PVEFNHAINYVNKIKNRF...PDIYKAFLEILHTYQKEQRNAKEA........TEQEVYAQVARLF..QEDLLSEFGQ ------300-------310-------320-------330-------340-------350-------360-------370--------