Solution structure of an MbtH-like protein from Mycobacterium avium, Seattle Structural Genomics Center for Infectious Disease target MyavA.01649.c
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 66.6 % (606 of 910) | 61.2 % (289 of 472) | 71.3 % (254 of 356) | 76.8 % (63 of 82) |
Backbone | 74.6 % (349 of 468) | 69.6 % (112 of 161) | 76.8 % (179 of 233) | 78.4 % (58 of 74) |
Sidechain | 60.8 % (313 of 515) | 56.9 % (177 of 311) | 66.8 % (131 of 196) | 62.5 % (5 of 8) |
Aromatic | 44.3 % (47 of 106) | 45.3 % (24 of 53) | 40.0 % (20 of 50) | 100.0 % (3 of 3) |
Methyl | 88.2 % (60 of 68) | 82.4 % (28 of 34) | 94.1 % (32 of 34) |
1. entity
GPGSMSINPF DDDNGSFFVL VNDEEQHSLW PAFADVPAGW RVVHGEADRA ACLEYIEEHW PDIRPKSLRD KLATGRGFDQSolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Agilent VNMRS - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent VNMRS - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 500 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent VNMRS - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent VNMRS - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent VNMRS - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Agilent VNMRS - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±0.5) mM | |
3 | DTT | natural abundance | 1 (±0.01) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25763_2n6g.nef |
Input source #2: Coordindates | 2n6g.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 GPGSMSINPFDDDNGSFFVLVNDEEQHSLWPAFADVPAGWRVVHGEADRAACLEYIEEHWPDIRPKSLRDKLATGRGFDQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPGSMSINPFDDDNGSFFVLVNDEEQHSLWPAFADVPAGWRVVHGEADRAACLEYIEEHWPDIRPKSLRDKLATGRGFDQ
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 80 | 0 | 0 | 100.0 |
Content subtype: combined_25763_2n6g.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80 GPGSMSINPFDDDNGSFFVLVNDEEQHSLWPAFADVPAGWRVVHGEADRAACLEYIEEHWPDIRPKSLRDKLATGRGFDQ ||||||| |||||||||||||||||||||||||||||||||||||||||||||||| | ||||||||||||| .PGSMSIN....DNGSFFVLVNDEEQHSLWPAFADVPAGWRVVHGEADRAACLEYIEEHW..I....LRDKLATGRGFDQ
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 472 | 268 | 56.8 |
13C chemical shifts | 356 | 235 | 66.0 |
15N chemical shifts | 87 | 62 | 71.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 161 | 108 | 67.1 |
13C chemical shifts | 160 | 117 | 73.1 |
15N chemical shifts | 74 | 57 | 77.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 311 | 160 | 51.4 |
13C chemical shifts | 196 | 118 | 60.2 |
15N chemical shifts | 13 | 5 | 38.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 27 | 77.1 |
13C chemical shifts | 35 | 31 | 88.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 53 | 19 | 35.8 |
13C chemical shifts | 50 | 15 | 30.0 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80 GPGSMSINPFDDDNGSFFVLVNDEEQHSLWPAFADVPAGWRVVHGEADRAACLEYIEEHWPDIRPKSLRDKLATGRGFDQ |||| |||||||||||||| || ||||||||||||| ||||||||||||||| | |||||||||| ....MSIN....DNGSFFVLVNDEEQ..LW.AFADVPAGWRVVH.EADRAACLEYIEEHW..I.......KLATGRGFDQ
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80 GPGSMSINPFDDDNGSFFVLVNDEEQHSLWPAFADVPAGWRVVHGEADRAACLEYIEEHWPDIRPKSLRDKLATGRGFDQ |||| |||||||||||||||| ||||||||||||||||||||||||||||| ..GSMS.....DDNGSFFVLVNDEEQH...PAFADVPAGWRVVHGEADRAACLEYIEEH --------10--------20--------30--------40--------50---------