Structure of bacteriophage SPP1 gp17 protein
QGLQTWKLAS RALQKATVEN LESYQPLMEM VNQVTESPGK DDPYPYVVIG DQSSTPFETK SSFGENITMD FHVWGGTTRA EAQDISSRVL EALTYKPLMF EGFTFVAKKL VLAQVITDTD GVTKHGIIKV RFTINNNTG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 64.4 % (1041 of 1617) | 72.8 % (607 of 834) | 50.3 % (319 of 634) | 77.2 % (115 of 149) |
Backbone | 69.7 % (573 of 822) | 81.2 % (229 of 282) | 57.5 % (234 of 407) | 82.7 % (110 of 133) |
Sidechain | 60.1 % (555 of 924) | 66.8 % (369 of 552) | 50.8 % (181 of 356) | 31.3 % (5 of 16) |
Aromatic | 70.9 % (95 of 134) | 86.6 % (58 of 67) | 53.8 % (35 of 65) | 100.0 % (2 of 2) |
Methyl | 58.0 % (94 of 162) | 71.6 % (58 of 81) | 44.4 % (36 of 81) |
1. gp17
QGLQTWKLAS RALQKATVEN LESYQPLMEM VNQVTESPGK DDPYPYVVIG DQSSTPFETK SSFGENITMD FHVWGGTTRA EAQDISSRVL EALTYKPLMF EGFTFVAKKL VLAQVITDTD GVTKHGIIKV RFTINNNTGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | gp17 | natural abundance | 0.3 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % | |
9 | MES | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 500 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | gp17 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
12 | H2O | natural abundance | 90 % | |
13 | D2O | natural abundance | 10 % | |
14 | MES | natural abundance | 50 mM | |
15 | sodium chloride | natural abundance | 500 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | na | indirect | 0.2514495 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | na | indirect | 0.2514495 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | na | indirect | 0.2514495 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | na | indirect | 0.1013291 |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | gp17 | [U-100% 13C; U-100% 15N] | 0.3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | TRIS | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | gp17 | natural abundance | 0.3 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % | |
9 | MES | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 500 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | gp17 | natural abundance | 0.3 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % | |
9 | MES | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 500 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | gp17 | natural abundance | 0.3 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % | |
9 | MES | natural abundance | 50 mM | |
10 | sodium chloride | natural abundance | 500 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | gp17 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
12 | H2O | natural abundance | 90 % | |
13 | D2O | natural abundance | 10 % | |
14 | MES | natural abundance | 50 mM | |
15 | sodium chloride | natural abundance | 500 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | gp17 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
12 | H2O | natural abundance | 90 % | |
13 | D2O | natural abundance | 10 % | |
14 | MES | natural abundance | 50 mM | |
15 | sodium chloride | natural abundance | 500 mM |
Bruker AMX - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | gp17 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
12 | H2O | natural abundance | 90 % | |
13 | D2O | natural abundance | 10 % | |
14 | MES | natural abundance | 50 mM | |
15 | sodium chloride | natural abundance | 500 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17768_2lfp.nef |
Input source #2: Coordindates | 2lfp.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------- QGLQTWKLASRALQKATVENLESYQPLMEMVNQVTESPGKDDPYPYVVIGDQSSTPFETKSSFGENITMDFHVWGGTTRAEAQDISSRVLEALTYKPLMF |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QGLQTWKLASRALQKATVENLESYQPLMEMVNQVTESPGKDDPYPYVVIGDQSSTPFETKSSFGENITMDFHVWGGTTRAEAQDISSRVLEALTYKPLMF --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 100-------110-------120-------130--200- EGFTFVAKKLVLAQVITDTDGVTKHGIIKVRFTINNNTG ||||||||||||||||||||||||||||||||||||||| EGFTFVAKKLVLAQVITDTDGVTKHGIIKVRFTINNNTG -------110-------120-------130---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 139 | 0 | 0 | 100.0 |
Content subtype: combined_17768_2lfp.nef
Assigned chemical shifts
-----------10--------20--------30--------40--------50--------60--------70--------80--------90------- QGLQTWKLASRALQKATVENLESYQPLMEMVNQVTESPGKDDPYPYVVIGDQSSTPFETKSSFGENITMDFHVWGGTTRAEAQDISSRVLEALTYKPLMF | ||||||||||||||||||||||||||||| |||||||||||||||| || ||| ||||||||||||||||||||||||||||||||||| .....W.LASRALQKATVENLESYQPLMEMVNQVTE.PGKDDPYPYVVIGDQS..PF.TKS....NITMDFHVWGGTTRAEAQDISSRVLEALTYKPLMF -----------10--------20--------30--------40--------50--------60--------70--------80--------90------- 100-------110-------120-------130--200- EGFTFVAKKLVLAQVITDTDGVTKHGIIKVRFTINNNTG |||||||| |||||||||||||||||||| EGFTFVAK......VITDTDGVTKHGIIKVRFTI.................................................................. 100-------110-------120-------130-------140-------150-------160-------170-------180-------190------- ..TG 200-
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 834 | 582 | 69.8 |
13C chemical shifts | 634 | 282 | 44.5 |
15N chemical shifts | 153 | 102 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 282 | 219 | 77.7 |
13C chemical shifts | 278 | 110 | 39.6 |
15N chemical shifts | 133 | 100 | 75.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 552 | 363 | 65.8 |
13C chemical shifts | 356 | 172 | 48.3 |
15N chemical shifts | 20 | 2 | 10.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 85 | 63 | 74.1 |
13C chemical shifts | 85 | 36 | 42.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 67 | 58 | 86.6 |
13C chemical shifts | 65 | 32 | 49.2 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
-----------10--------20--------30--------40--------50--------60--------70--------80--------90------- QGLQTWKLASRALQKATVENLESYQPLMEMVNQVTESPGKDDPYPYVVIGDQSSTPFETKSSFGENITMDFHVWGGTTRAEAQDISSRVLEALTYKPLMF | |||||||||||||||||||||||||||| |||||||||||||||| || ||| ||||||||||||| ||||||||||||||||||||| .....W..ASRALQKATVENLESYQPLMEMVNQVTE.PGKDDPYPYVVIGDQS..PF.TKS....NITMDFHVWGGTT.AEAQDISSRVLEALTYKPLMF -----------10--------20--------30--------40--------50--------60--------70--------80--------90------- 100-------110-------120-------130--200- EGFTFVAKKLVLAQVITDTDGVTKHGIIKVRFTINNNTG |||||||| ||||| ||||||||||||| EGFTFVAK......VITDT..VTKHGIIKVRFTI 100-------110-------120-------130-
Dihedral angle restraints
-----------10--------20--------30--------40--------50--------60--------70--------80--------90------- QGLQTWKLASRALQKATVENLESYQPLMEMVNQVTESPGKDDPYPYVVIGDQSSTPFETKSSFGENITMDFHVWGGTTRAEAQDISSRVLEALTYKPLMF ||||||||||||||||||||||||||||||||||||||||||||||| |||||| ||||||||||| |||||||||||||||||||||||| ......KLASRALQKATVENLESYQPLMEMVNQVTESPGKDDPYPYVVIGDQS.TPFETK....ENITMDFHVWG.TTRAEAQDISSRVLEALTYKPLMF -----------10--------20--------30--------40--------50--------60--------70--------80--------90------- 100-------110-------120-------130--200- EGFTFVAKKLVLAQVITDTDGVTKHGIIKVRFTINNNTG ||||||||| |||||||||||||||||||||| EGFTFVAKK....QVITDTDGVTKHGIIKVRFTIN 100-------110-------120-------130--