Enteropathogenic Escherichia coli 0111:H- str. 11128 ORF EC0111_1119 similar to bacteriophage lambda ea8.5
MKRGVEMSIH DLCEDQEQWA MQTLMGSGVL ARCRIHNDVI LDSGNDASSA YKLGTYLYQK DNSCNLFNTL TEARDAIKDA YESYCGIDDC PQCSKYIDD
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 72.6 % (802 of 1105) | 70.3 % (402 of 572) | 73.3 % (311 of 424) | 81.7 % (89 of 109) |
Backbone | 78.7 % (466 of 592) | 81.3 % (165 of 203) | 74.9 % (218 of 291) | 84.7 % (83 of 98) |
Sidechain | 66.3 % (402 of 606) | 64.2 % (237 of 369) | 70.4 % (159 of 226) | 54.5 % (6 of 11) |
Aromatic | 89.7 % (70 of 78) | 97.4 % (38 of 39) | 81.6 % (31 of 38) | 100.0 % (1 of 1) |
Methyl | 95.6 % (86 of 90) | 95.6 % (43 of 45) | 95.6 % (43 of 45) |
1. MS1
MKRGVEMSIH DLCEDQEQWA MQTLMGSGVL ARCRIHNDVI LDSGNDASSA YKLGTYLYQK DNSCNLFNTL TEARDAIKDA YESYCGIDDC PQCSKYIDDSolvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | 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 Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Varian Varian - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 289.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MS1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19178_2m7a.nef |
Input source #2: Coordindates | 2m7a.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 | True (see coodinates for details) |
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)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
1:38:HIS:NE2 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:35:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:95:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:92:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | ZN | ZINC ION | None |
Sequence alignments
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------- GSMKRGVEMSIHDLCEDQEQWAMQTLMGSGVLARCRIHNDVILDSGNDASSAYKLGTYLYQKDNSCNLFNTLTEARDAIKDAYESYCGIDDCPQCSKYID |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSMKRGVEMSIHDLCEDQEQWAMQTLMGSGVLARCRIHNDVILDSGNDASSAYKLGTYLYQKDNSCNLFNTLTEARDAIKDAYESYCGIDDCPQCSKYID --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 - D | D -
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 101 | 0 | 0 | 100.0 |
Content subtype: combined_19178_2m7a.nef
Assigned chemical shifts
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------- GSMKRGVEMSIHDLCEDQEQWAMQTLMGSGVLARCRIHNDVILDSGNDASSAYKLGTYLYQKDNSCNLFNTLTEARDAIKDAYESYCGIDDCPQCSKYID | ||||||| |||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| ..M..GVEMSIH.....QEQWAMQTLMGSGVLARCRIHNDVILDSGNDASSAYKLGTYLYQ......LFNTLTEARDAIKDAYESYCGIDDCPQCSKYID - D | D
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 579 | 388 | 67.0 |
13C chemical shifts | 429 | 300 | 69.9 |
15N chemical shifts | 115 | 85 | 73.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 208 | 159 | 76.4 |
13C chemical shifts | 202 | 146 | 72.3 |
15N chemical shifts | 100 | 79 | 79.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 371 | 229 | 61.7 |
13C chemical shifts | 227 | 154 | 67.8 |
15N chemical shifts | 15 | 6 | 40.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 49 | 46 | 93.9 |
13C chemical shifts | 49 | 46 | 93.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 38 | 97.4 |
13C chemical shifts | 38 | 31 | 81.6 |
15N chemical shifts | 1 | 1 | 100.0 |
Covalent bonds
Distance restraints
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------- GSMKRGVEMSIHDLCEDQEQWAMQTLMGSGVLARCRIHNDVILDSGNDASSAYKLGTYLYQKDNSCNLFNTLTEARDAIKDAYESYCGIDDCPQCSKYID |||||||||||||||||||||||||||||||| |||||||||| |||||||||||||||||||||||||||||||| ..................EQWAMQTLMGSGVLARCRIHNDVILDSGNDAS.AYKLGTYLYQ.......FNTLTEARDAIKDAYESYCGIDDCPQCSKYID - D | D
Dihedral angle restraints
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------- GSMKRGVEMSIHDLCEDQEQWAMQTLMGSGVLARCRIHNDVILDSGNDASSAYKLGTYLYQKDNSCNLFNTLTEARDAIKDAYESYCGIDDCPQCSKYID |||||||| |||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||| ................DQEQWAMQ.LMGSGVLARCRIHNDVILDSGNDASSAYKLGTYLYQ.......FNTLTEARDAIKDAYESYCGIDDCPQCSKYID - D | D