The Solution structure of the eTAFH domain of AML1-ETO complexed with HEB peptide
GAMGSGARQL SKLKRFLTTL QQFGNDISPE IGERVRTLVL GLVNSTLTIE EFHSKLQEAT NFPLRPFVIP FLKANLPLLQ RELLHCARLA KQNPAQYLAQ HEQ
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.2 % (1206 of 1450) | 83.6 % (633 of 757) | 81.7 % (461 of 564) | 86.8 % (112 of 129) |
Backbone | 94.7 % (676 of 714) | 96.3 % (234 of 243) | 93.3 % (332 of 356) | 95.7 % (110 of 115) |
Sidechain | 73.9 % (628 of 850) | 76.7 % (394 of 514) | 72.0 % (232 of 322) | 14.3 % (2 of 14) |
Aromatic | 30.0 % (30 of 100) | 60.0 % (30 of 50) | 0.0 % (0 of 50) | |
Methyl | 92.8 % (141 of 152) | 92.1 % (70 of 76) | 93.4 % (71 of 76) |
1. entity 1
GAMGSGARQL SKLKRFLTTL QQFGNDISPE IGERVRTLVL GLVNSTLTIE EFHSKLQEAT NFPLRPFVIP FLKANLPLLQ RELLHCARLA KQNPAQYLAQ HEQ2. entity 2
IGTDKELSDL LDFSAMFSSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bis-Tris | natural abundance | 25 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 350 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bis-Tris | natural abundance | 25 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 350 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bis-Tris | natural abundance | 25 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 350 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bis-Tris | natural abundance | 25 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 350 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bis-Tris | natural abundance | 25 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 350 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bis-Tris | natural abundance | 25 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 350 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bis-Tris | natural abundance | 25 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 350 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bis-Tris | natural abundance | 25 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 350 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bis-Tris | natural abundance | 25 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 350 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Bis-Tris | natural abundance | 25 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 350 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_16467_2knh.nef |
Input source #2: Coordindates | 2knh.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
------270-------280-------290-------300-------310-------320-------330-------340-------350-------360- GAMGSGARQLSKLKRFLTTLQQFGNDISPEIGERVRTLVLGLVNSTLTIEEFHSKLQEATNFPLRPFVIPFLKANLPLLQRELLHCARLAKQNPAQYLAQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMGSGARQLSKLKRFLTTLQQFGNDISPEIGERVRTLVLGLVNSTLTIEEFHSKLQEATNFPLRPFVIPFLKANLPLLQRELLHCARLAKQNPAQYLAQ --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 --- HEQ ||| HEQ ---
--------20-------- IGTDKELSDLLDFSAMFS |||||||||||||||||| IGTDKELSDLLDFSAMFS --------10--------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 103 | 0 | 0 | 100.0 |
B | B | 18 | 0 | 0 | 100.0 |
Content subtype: combined_16467_2knh.nef
Assigned chemical shifts
------270-------280-------290-------300-------310-------320-------330-------340-------350-------360- GAMGSGARQLSKLKRFLTTLQQFGNDISPEIGERVRTLVLGLVNSTLTIEEFHSKLQEATNFPLRPFVIPFLKANLPLLQRELLHCARLAKQNPAQYLAQ ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||| GAMGSGARQLSKLKRFLTTLQQFGNDISPEIGERVRTLVLGLVNSTLTIEEFHSKLQEATN..LRPFVIPFLKANLPLLQRELLHCARLAKQNPAQYLAQ --- HEQ ||| HEQ
--------20-------- IGTDKELSDLLDFSAMFS |||||||||||||||||| IGTDKELSDLLDFSAMFS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 654 | 517 | 79.1 |
13C chemical shifts | 482 | 389 | 80.7 |
15N chemical shifts | 118 | 91 | 77.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 206 | 199 | 96.6 |
13C chemical shifts | 206 | 191 | 92.7 |
15N chemical shifts | 97 | 91 | 93.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 448 | 318 | 71.0 |
13C chemical shifts | 276 | 198 | 71.7 |
15N chemical shifts | 21 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 67 | 61 | 91.0 |
13C chemical shifts | 67 | 61 | 91.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 40 | 20 | 50.0 |
13C chemical shifts | 40 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 103 | 98 | 95.1 |
13C chemical shifts | 82 | 67 | 81.7 |
15N chemical shifts | 18 | 17 | 94.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 37 | 35 | 94.6 |
13C chemical shifts | 36 | 34 | 94.4 |
15N chemical shifts | 18 | 17 | 94.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 66 | 63 | 95.5 |
13C chemical shifts | 46 | 33 | 71.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 11 | 11 | 100.0 |
13C chemical shifts | 11 | 10 | 90.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 10 | 10 | 100.0 |
13C chemical shifts | 10 | 0 | 0.0 |
Distance restraints
------270-------280-------290-------300-------310-------320-------330-------340-------350-------360- GAMGSGARQLSKLKRFLTTLQQFGNDISPEIGERVRTLVLGLVNSTLTIEEFHSKLQEATNFPLRPFVIPFLKANLPLLQRELLHCARLAKQNPAQYLAQ |||| .AMGS............................................................................................... --------------10--------20--------30--------40--------50--------60--------70--------80--------90---- --- HEQ .................................................................................................... ---100-------110-------120-------130-------140-------150-------160-------170-------180-------190---- ........................................................................GARQLSKLKRFLTTLQQFGNDISPEIGE ---200-------210-------220-------230-------240-------250-------260-------270-------280-------290---- RVRTLVLGLVNSTLTIEEFHSKLQEATNFPLRPFVIPFLKANLPLLQRELLHCARLAKQNPAQYLAQHEQ ---300-------310-------320-------330-------340-------350-------360----
--------20-------- IGTDKELSDLLDFSAMFS |||||||||||||||||| IGTDKELSDLLDFSAMFS
Dihedral angle restraints
------270-------280-------290-------300-------310-------320-------330-------340-------350-------360- GAMGSGARQLSKLKRFLTTLQQFGNDISPEIGERVRTLVLGLVNSTLTIEEFHSKLQEATNFPLRPFVIPFLKANLPLLQRELLHCARLAKQNPAQYLAQ ||||||||||||||||||| ||||||||||||||| |||||||||||||| ||||||||||||||||||||||||| |||||||| .....GARQLSKLKRFLTTLQQFG......IGERVRTLVLGLVNS..TIEEFHSKLQEATN....PFVIPFLKANLPLLQRELLHCARLA..NPAQYLAQ ------270-------280-------290-------300-------310-------320-------330-------340-------350-------360- --- HEQ
--------20-------- IGTDKELSDLLDFSAMFS ||||||||||||| ...DKELSDLLDFSAM --------20------
RDC restraints
------270-------280-------290-------300-------310-------320-------330-------340-------350-------360- GAMGSGARQLSKLKRFLTTLQQFGNDISPEIGERVRTLVLGLVNSTLTIEEFHSKLQEATNFPLRPFVIPFLKANLPLLQRELLHCARLAKQNPAQYLAQ ||||||||||||||||| |||||||||||||| |||||||||||| ||||||||||||||||||||| .....GARQLSKLKRFLTTLQQ........IGERVRTLVLGLVN...TIEEFHSKLQEA.........IPFLKANLPLLQRELLHCARL ------270-------280-------290-------300-------310-------320-------330-------340-------350 --- HEQ
--------20-------- IGTDKELSDLLDFSAMFS ||||||||||||| ...DKELSDLLDFSAM --------20------