alfa-actinin from parasite Entamoeba histolytica
GSSSGVTAEQ MQEFKQSFDA FDGNHDGILD KLEFRSCLSS MGLIDIDFTG GEDAQYDAIY NNVTKGENGV SFDNYVQYMK EKNDENPSPE QLNEIFSTIA AGKDSITETD MQKAGMSAEQ IEYVKANLPQ KGDGYDYAAW VKTN
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.8 % (1454 of 1620) | 90.5 % (760 of 840) | 89.2 % (552 of 619) | 88.2 % (142 of 161) |
Backbone | 94.1 % (807 of 858) | 95.6 % (285 of 298) | 92.1 % (386 of 419) | 96.5 % (136 of 141) |
Sidechain | 86.8 % (775 of 893) | 87.5 % (474 of 542) | 89.4 % (296 of 331) | 25.0 % (5 of 20) |
Aromatic | 77.5 % (110 of 142) | 93.0 % (66 of 71) | 61.4 % (43 of 70) | 100.0 % (1 of 1) |
Methyl | 100.0 % (116 of 116) | 100.0 % (58 of 58) | 100.0 % (58 of 58) |
1. entity
GSSSGVTAEQ MQEFKQSFDA FDGNHDGILD KLEFRSCLSS MGLIDIDFTG GEDAQYDAIY NNVTKGENGV SFDNYVQYMK EKNDENPSPE QLNEIFSTIA AGKDSITETD MQKAGMSAEQ IEYVKANLPQ KGDGYDYAAW VKTNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM NaPi, 150 mM NaCl, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | The protein | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM NaPi, 150 mM NaCl, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | The protein | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM NaPi, 150 mM NaCl, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | The protein | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM NaPi, 150 mM NaCl, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | The protein | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM NaPi, 150 mM NaCl, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | The protein | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM NaPi, 150 mM NaCl, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | The protein | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM NaPi, 150 mM NaCl, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | The protein | [U-100% 13C; U-100% 15N] | 1.5 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19195_2m7l.nef |
Input source #2: Coordindates | 2m7l.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 GSSSGVTAEQMQEFKQSFDAFDGNHDGILDKLEFRSCLSSMGLIDIDFTGGEDAQYDAIYNNVTKGENGVSFDNYVQYMKEKNDENPSPEQLNEIFSTIA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSSSGVTAEQMQEFKQSFDAFDGNHDGILDKLEFRSCLSSMGLIDIDFTGGEDAQYDAIYNNVTKGENGVSFDNYVQYMKEKNDENPSPEQLNEIFSTIA -------110-------120-------130-------140---- AGKDSITETDMQKAGMSAEQIEYVKANLPQKGDGYDYAAWVKTN |||||||||||||||||||||||||||||||||||||||||||| AGKDSITETDMQKAGMSAEQIEYVKANLPQKGDGYDYAAWVKTN
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 144 | 0 | 0 | 100.0 |
Content subtype: combined_19195_2m7l.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSSSGVTAEQMQEFKQSFDAFDGNHDGILDKLEFRSCLSSMGLIDIDFTGGEDAQYDAIYNNVTKGENGVSFDNYVQYMKEKNDENPSPEQLNEIFSTIA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SSSGVTAEQMQEFKQSFDAFDGNHDGILDKLEFRSCLSSMGLIDIDFTGGEDAQYDAIYNNVTKGENGVSFDNYVQYMKEKNDENPSPEQLNEIFSTIA -------110-------120-------130-------140---- AGKDSITETDMQKAGMSAEQIEYVKANLPQKGDGYDYAAWVKTN |||||||||||||||||||||||||||||||||||||||||||| AGKDSITETDMQKAGMSAEQIEYVKANLPQKGDGYDYAAWVKTN
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 619 | 537 | 86.8 |
1H chemical shifts | 840 | 743 | 88.5 |
15N chemical shifts | 162 | 136 | 84.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 288 | 246 | 85.4 |
1H chemical shifts | 298 | 282 | 94.6 |
15N chemical shifts | 141 | 136 | 96.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 331 | 291 | 87.9 |
1H chemical shifts | 542 | 461 | 85.1 |
15N chemical shifts | 21 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 63 | 63 | 100.0 |
1H chemical shifts | 63 | 63 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 70 | 41 | 58.6 |
1H chemical shifts | 71 | 65 | 91.5 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSSSGVTAEQMQEFKQSFDAFDGNHDGILDKLEFRSCLSSMGLIDIDFTGGEDAQYDAIYNNVTKGENGVSFDNYVQYMKEKNDENPSPEQLNEIFSTIA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...SGVTAEQMQEFKQSFDAFDGNHDGILDKLEFRSCLSSMGLIDIDFTGGEDAQYDAIYNNVTKGENGVSFDNYVQYMKEKNDENPSPEQLNEIFSTIA -------110-------120-------130-------140---- AGKDSITETDMQKAGMSAEQIEYVKANLPQKGDGYDYAAWVKTN |||||||||||||||||||||||||||||||| ||||||||||| AGKDSITETDMQKAGMSAEQIEYVKANLPQKG.GYDYAAWVKTN
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSSSGVTAEQMQEFKQSFDAFDGNHDGILDKLEFRSCLSSMGLIDIDFTGGEDAQYDAIYNNVTKGENGVSFDNYVQYMKEKNDENPSPEQLNEIFSTIA | |||||| ||| | ||| |||||| || ||| | | |||||| | || | |||||| | ||||||| |||| ......T.EQMQEF.QSF.A........LDK.EFRSCL.SM.LID.D......A.YDAIYN.V......VS.D.YVQYMK..N.....PEQLNEI.STIA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140---- AGKDSITETDMQKAGMSAEQIEYVKANLPQKGDGYDYAAWVKTN | || |||| | | || |||||| | || | ..K...TE.DMQK.G.S..QI.YVKANL.......D.AA..K -------110-------120-------130-------140--
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSSSGVTAEQMQEFKQSFDAFDGNHDGILDKLEFRSCLSSMGLIDIDFTGGEDAQYDAIYNNVTKGENGVSFDNYVQYMKEKNDENPSPEQLNEIFSTIA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SSSGVTAEQMQEFKQSFDAFDGNHDGILDKLEFRSCLSSMGLIDIDFTGGEDAQYDAIYNNVTKGENGVSFDNYVQYMKEKNDENPSPEQLNEIFSTIA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140---- AGKDSITETDMQKAGMSAEQIEYVKANLPQKGDGYDYAAWVKTN ||||||||||||||||||||||||||||||||||||||||||| AGKDSITETDMQKAGMSAEQIEYVKANLPQKGDGYDYAAWVKT -------110-------120-------130-------140---