Structure of the Type IVa Major Pilin from the Electrically Conductive Bacterial Nanowires of Geobacter sulfurreducens
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.6 % (582 of 696) | 85.0 % (300 of 353) | 79.7 % (224 of 281) | 93.5 % (58 of 62) |
Backbone | 95.8 % (345 of 360) | 96.7 % (116 of 120) | 94.5 % (172 of 182) | 98.3 % (57 of 58) |
Sidechain | 74.7 % (296 of 396) | 79.0 % (184 of 233) | 69.8 % (111 of 159) | 25.0 % (1 of 4) |
Aromatic | 0.0 % (0 of 54) | 0.0 % (0 of 27) | 0.0 % (0 of 27) | |
Methyl | 88.5 % (85 of 96) | 95.8 % (46 of 48) | 81.3 % (39 of 48) |
1. PilA
FTLIELLIVV AIIGILAAIA IPQFSAYRVK AYNSAASSDL RNLKTALESA FADDQTYPPE SSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilA | [U-13C; U-15N] | 1 mM | |
2 | DHPC | [U-2H] | 200 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
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 |
Varian VNMRs - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilA | [U-13C; U-15N] | 1 mM | |
2 | DHPC | [U-2H] | 200 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian VNMRs - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilA | [U-13C; U-15N] | 1 mM | |
2 | DHPC | [U-2H] | 200 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian VNMRs - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilA | [U-13C; U-15N] | 1 mM | |
2 | DHPC | [U-2H] | 200 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian VNMRs - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilA | [U-13C; U-15N] | 1 mM | |
2 | DHPC | [U-2H] | 200 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian VNMRs - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilA | [U-13C; U-15N] | 1 mM | |
2 | DHPC | [U-2H] | 200 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian VNMRs - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilA | [U-13C; U-15N] | 1 mM | |
2 | DHPC | [U-2H] | 200 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian VNMRs - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilA | [U-13C; U-15N] | 1 mM | |
2 | DHPC | [U-2H] | 200 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian VNMRs - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilA | [U-13C; U-15N] | 1 mM | |
2 | DHPC | [U-2H] | 200 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19185_2m7g.nef |
Input source #2: Coordindates | 2m7g.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- FTLIELLIVVAIIGILAAIAIPQFSAYRVKAYNSAASSDLRNLKTALESAFADDQTYPPES ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FTLIELLIVVAIIGILAAIAIPQFSAYRVKAYNSAASSDLRNLKTALESAFADDQTYPPES
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 61 | 0 | 0 | 100.0 |
Content subtype: combined_19185_2m7g.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60- FTLIELLIVVAIIGILAAIAIPQFSAYRVKAYNSAASSDLRNLKTALESAFADDQTYPPES |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .TLIELLIVVAIIGILAAIAIPQFSAYRVKAYNSAASSDLRNLKTALESAFADDQTYPPES
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 353 | 304 | 86.1 |
13C chemical shifts | 281 | 221 | 78.6 |
15N chemical shifts | 64 | 58 | 90.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 120 | 118 | 98.3 |
13C chemical shifts | 122 | 112 | 91.8 |
15N chemical shifts | 58 | 57 | 98.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 233 | 186 | 79.8 |
13C chemical shifts | 159 | 109 | 68.6 |
15N chemical shifts | 6 | 1 | 16.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 48 | 46 | 95.8 |
13C chemical shifts | 48 | 37 | 77.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 27 | 0 | 0.0 |
13C chemical shifts | 27 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60- FTLIELLIVVAIIGILAAIAIPQFSAYRVKAYNSAASSDLRNLKTALESAFADDQTYPPES |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .TLIELLIVVAIIGILAAIAIPQFSAYRVKAYNSAASSDLRNLKTALESAFADDQTYPPES
--------10--------20--------30--------40--------50--------60- FTLIELLIVVAIIGILAAIAIPQFSAYRVKAYNSAASSDLRNLKTALESAFADDQTYPPES |||||||||||||||||| ||||||||| |||||| ||| | | ...IELLIVVAIIGILAAIAI.QFSAYRVKA.NSAASS.LRN...A...A --------10--------20--------30--------40--------50
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60- FTLIELLIVVAIIGILAAIAIPQFSAYRVKAYNSAASSDLRNLKTALESAFADDQTYPPES |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .TLIELLIVVAIIGILAAIAIPQFSAYRVKAYNSAASSDLRNLKTALESAFADDQTYPP --------10--------20--------30--------40--------50---------