ORF PP_3909 from Pseudomonas putida KT2440 encoding a protein similar to bacteriophage lambda ea8.5
MGGIKRLMEE EDAKYSEAVY IAIEAGTLAE CEVHEGTYFS DSGDISEAEE LAREKFEKGE VSNFDDVEEL VKKVVAVCEE LGAEECFSCD FD
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 77.3 % (782 of 1012) | 76.2 % (396 of 520) | 77.9 % (311 of 399) | 80.6 % (75 of 93) |
Backbone | 81.0 % (447 of 552) | 79.1 % (151 of 191) | 82.5 % (222 of 269) | 80.4 % (74 of 92) |
Sidechain | 74.5 % (406 of 545) | 74.5 % (245 of 329) | 74.4 % (160 of 215) | 100.0 % (1 of 1) |
Aromatic | 76.9 % (60 of 78) | 87.2 % (34 of 39) | 66.7 % (26 of 39) | |
Methyl | 92.2 % (83 of 90) | 93.3 % (42 of 45) | 91.1 % (41 of 45) |
1. mol1
MGGIKRLMEE EDAKYSEAVY IAIEAGTLAE CEVHEGTYFS DSGDISEAEE LAREKFEKGE VSNFDDVEEL VKKVVAVCEE LGAEECFSCD FDSolvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
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 |
---|---|---|---|---|---|---|
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 |
---|---|---|---|---|---|---|
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 |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Varian NMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.800
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | mol1 | [U-99% 13C; U-99% 15N] | 0.6 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19179_2m7b.nef |
Input source #2: Coordindates | 2m7b.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) |
---|---|---|---|---|
1:36:HIS:NE2 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:33:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:36:HIS:ND1 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:91:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:88: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-- GSMGGIKRLMEEEDAKYSEAVYIAIEAGTLAECEVHEGTYFSDSGDISEAEELAREKFEKGEVSNFDDVEELVKKVVAVCEELGAEECFSCDFD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSMGGIKRLMEEEDAKYSEAVYIAIEAGTLAECEVHEGTYFSDSGDISEAEELAREKFEKGEVSNFDDVEELVKKVVAVCEELGAEECFSCDFD --------10--------20--------30--------40--------50--------60--------70--------80--------90----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 94 | 0 | 0 | 100.0 |
Content subtype: combined_19179_2m7b.nef
Assigned chemical shifts
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-- GSMGGIKRLMEEEDAKYSEAVYIAIEAGTLAECEVHEGTYFSDSGDISEAEELAREKFEKGEVSNFDDVEELVKKVVAVCEELGAEECFSCDFD | ||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....I........AKY.EAVYIAIEAGTLAECEVHEGTYFSDSGDISEAEELAREKFEKGEVSNFDDVEELVKKVVAVCEELGAEECFSCDFD
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 527 | 395 | 75.0 |
13C chemical shifts | 404 | 307 | 76.0 |
15N chemical shifts | 97 | 75 | 77.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 196 | 151 | 77.0 |
13C chemical shifts | 188 | 149 | 79.3 |
15N chemical shifts | 94 | 74 | 78.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 331 | 244 | 73.7 |
13C chemical shifts | 216 | 158 | 73.1 |
15N chemical shifts | 3 | 1 | 33.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 47 | 41 | 87.2 |
13C chemical shifts | 47 | 41 | 87.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 34 | 87.2 |
13C chemical shifts | 39 | 26 | 66.7 |
Covalent bonds
Distance restraints
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-- GSMGGIKRLMEEEDAKYSEAVYIAIEAGTLAECEVHEGTYFSDSGDISEAEELAREKFEKGEVSNFDDVEELVKKVVAVCEELGAEECFSCDFD ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...................AVYIAIEAGTLAECEVHEGTYFSDSGDISEAEELAREKFEKGEVSNFDDVEELVKKVVAVCEELGAEECFSCDFD
Dihedral angle restraints
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-- GSMGGIKRLMEEEDAKYSEAVYIAIEAGTLAECEVHEGTYFSDSGDISEAEELAREKFEKGEVSNFDDVEELVKKVVAVCEELGAEECFSCDFD ||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||| ||||||| ..................EAVYIAIEAGTLAECEVHEGTYFSDSGDISEAEELAREKFEKGEV....DVEELVKKVVAVCEELGAE.CFSCDFD