Solution Structure of BlsM
KAGVRSVFLA GPFMGLVNPE TNSMPSAEQL PFLTLIEHFE KQGLEVFNAH RREAWGAQVL TPEECTPLDQ LEIRKADVFV AIPGIPPSPG THVEIGWASA FDKPIVLLLE EGREEEYGFL VRGLGTVAAV EFVHYKDIAL AKPQIDAAIR KVVDRVNNPA ATP
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 80.4 % (1516 of 1885) | 76.6 % (747 of 975) | 84.0 % (629 of 749) | 87.0 % (140 of 161) |
Backbone | 93.2 % (885 of 950) | 92.6 % (300 of 324) | 93.7 % (447 of 477) | 92.6 % (138 of 149) |
Sidechain | 71.6 % (778 of 1086) | 68.7 % (447 of 651) | 77.8 % (329 of 423) | 16.7 % (2 of 12) |
Aromatic | 26.0 % (38 of 146) | 49.3 % (36 of 73) | 0.0 % (0 of 71) | 100.0 % (2 of 2) |
Methyl | 99.0 % (208 of 210) | 99.0 % (104 of 105) | 99.0 % (104 of 105) |
1. entity 1
KAGVRSVFLA GPFMGLVNPE TNSMPSAEQL PFLTLIEHFE KQGLEVFNAH RREAWGAQVL TPEECTPLDQ LEIRKADVFV AIPGIPPSPG THVEIGWASA FDKPIVLLLE EGREEEYGFL VRGLGTVAAV EFVHYKDIAL AKPQIDAAIR KVVDRVNNPA ATPSolvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 25 mM sodium phosphate, 2 mM DTT, 25 mM sodium chloride, 2 mM beta-mercaptoethanol, 0.02 % sodium azide, 0.8 mM [U-15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | DTT | natural abundance | 2 mM | |
3 | sodium chloride | natural abundance | 25 mM | |
4 | beta-mercaptoethanol | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | Blasticidin M | [U-15N] | 0.8 mM |
Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.02 % sodium azide, 0.8 mM [U-13C; U-15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | sodium azide | natural abundance | 0.02 % | |
8 | Blasticidin M | [U-13C; U-15N] | 0.8 mM |
Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.8 mM [U-100% 13C; U-100% 15N; U-95% 2H] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Blasticidin M | [U-100% 13C; U-100% 15N; U-95% 2H] | 0.8 mM |
Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.8 mM [U-10% 13C; U-100% 15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Blasticidin M | [U-10% 13C; U-100% 15N] | 0.8 mM |
Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 1.25 mM [U-15N] Blasticidin M, 1.25 mM [U-13C; U-15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | Blasticidin M | [U-15N] | 1.25 mM | |
12 | Blasticidin M | [U-13C; U-15N] | 1.25 mM |
Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.8 mM [U-15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | Blasticidin M | [U-15N] | 0.8 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.8 mM [U-100% 13C; U-100% 15N; U-95% 2H] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Blasticidin M | [U-100% 13C; U-100% 15N; U-95% 2H] | 0.8 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.8 mM [U-100% 13C; U-100% 15N; U-95% 2H] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Blasticidin M | [U-100% 13C; U-100% 15N; U-95% 2H] | 0.8 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.8 mM [U-100% 13C; U-100% 15N; U-95% 2H] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Blasticidin M | [U-100% 13C; U-100% 15N; U-95% 2H] | 0.8 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.8 mM [U-100% 13C; U-100% 15N; U-95% 2H] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Blasticidin M | [U-100% 13C; U-100% 15N; U-95% 2H] | 0.8 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.8 mM [U-100% 13C; U-100% 15N; U-95% 2H] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Blasticidin M | [U-100% 13C; U-100% 15N; U-95% 2H] | 0.8 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.02 % sodium azide, 0.8 mM [U-13C; U-15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | sodium azide | natural abundance | 0.02 % | |
8 | Blasticidin M | [U-13C; U-15N] | 0.8 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.8 mM [U-10% 13C; U-100% 15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Blasticidin M | [U-10% 13C; U-100% 15N] | 0.8 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 25 mM sodium phosphate, 2 mM DTT, 25 mM sodium chloride, 2 mM beta-mercaptoethanol, 0.02 % sodium azide, 0.8 mM [U-15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 25 mM | |
2 | DTT | natural abundance | 2 mM | |
3 | sodium chloride | natural abundance | 25 mM | |
4 | beta-mercaptoethanol | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | Blasticidin M | [U-15N] | 0.8 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.02 % sodium azide, 0.8 mM [U-13C; U-15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | sodium azide | natural abundance | 0.02 % | |
8 | Blasticidin M | [U-13C; U-15N] | 0.8 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 1.25 mM [U-15N] Blasticidin M, 1.25 mM [U-13C; U-15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | Blasticidin M | [U-15N] | 1.25 mM | |
12 | Blasticidin M | [U-13C; U-15N] | 1.25 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1 (±0.01) atm, Temperature 308 (±0.1) K, pH 6.50 (±0.05), Details 0.8 mM [U-15N] Blasticidin M, 92% H2O/8% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | Blasticidin M | [U-15N] | 0.8 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30295_5vto.nef |
Input source #2: Coordindates | 5vto.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
-------20--------30--------40--------50--------60--------70--------80--------90-------100-------110- KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ------120-------130-------140-------150-------160-------170---- FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP -------110-------120-------130-------140-------150-------160---
------220-------230-------240-------250-------260-------270-------280-------290-------300-------310- KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ------320-------330-------340-------350-------360-------370---- FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP -------110-------120-------130-------140-------150-------160---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 163 | 0 | 0 | 100.0 |
B | B | 163 | 0 | 0 | 100.0 |
Content subtype: combined_30295_5vto.nef
Assigned chemical shifts
-------20--------30--------40--------50--------60--------70--------80--------90-------100-------110- KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA ||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||| KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHR.EAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA -------20--------30--------40--------50--------60--------70--------80--------90-------100-------110- ------120-------130-------140-------150-------160-------170---- FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAAT ------120-------130-------140-------150-------160-------170---
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
110 | SER | HG | 5.13 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 975 | 713 | 73.1 |
13C chemical shifts | 749 | 621 | 82.9 |
15N chemical shifts | 169 | 140 | 82.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 324 | 297 | 91.7 |
13C chemical shifts | 326 | 297 | 91.1 |
15N chemical shifts | 149 | 138 | 92.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 651 | 416 | 63.9 |
13C chemical shifts | 423 | 324 | 76.6 |
15N chemical shifts | 20 | 2 | 10.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 107 | 105 | 98.1 |
13C chemical shifts | 107 | 106 | 99.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 73 | 33 | 45.2 |
13C chemical shifts | 71 | 0 | 0.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
-------20--------30--------40--------50--------60--------70--------80--------90-------100-------110- KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA ||||||||||||||||||||||||||||||||||||||||||||| ||| |||||||||||||||||||||||||||||||||||||||||||||||| ..GVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVF.AHR.EAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA -------20--------30--------40--------50--------60--------70--------80--------90-------100-------110- ------120-------130-------140-------150-------160-------170---- FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNN ------120-------130-------140-------150-------160---------
------220-------230-------240-------250-------260-------270-------280-------290-------300-------310- KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA ||||||||||||||||||||||||||||||||||||||||||||| ||| |||||||||||||||||||||||||||||||||||||||||||||||| ..GVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVF.AHR.EAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA ------220-------230-------240-------250-------260-------270-------280-------290-------300-------310- ------320-------330-------340-------350-------360-------370---- FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNN ------320-------330-------340-------350-------360---------
-------20--------30--------40--------50--------60--------70--------80--------90-------100-------110- KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA ||||| || ||| | || |||||||||||||||| | | ||||||||| || ||||||||||||| |||| ||||||||||||| ....RSVFL..PF..LVN..T...PS.EQLPFLTLIEHFEKQG.E.F.AHRREAWGA...TP.ECTPLDQLEIRKA.VFVA......SPGTHVEIGWASA -------20--------30--------40--------50--------60--------70--------80--------90-------100-------110- ------120-------130-------140-------150-------160-------170---- FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP || |||||| || |||||||||||||| | | | || ||||||||||||||||||| FD.PIVLLL..GR..EYGFLVRGLGTVAA.E.V.Y.DI.LAKPQIDAAIRKVVDRVNN ------120-------130-------140-------150-------160---------
------220-------230-------240-------250-------260-------270-------280-------290-------300-------310- KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA ||||| || ||| | || |||||||||||||||| | | ||||||||| || ||||||||||||| |||| ||||||||||||| ....RSVFL..PF..LVN..T...PS.EQLPFLTLIEHFEKQG.E.F.AHRREAWGA...TP.ECTPLDQLEIRKA.VFVA......SPGTHVEIGWASA ------220-------230-------240-------250-------260-------270-------280-------290-------300-------310- ------320-------330-------340-------350-------360-------370---- FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP || |||||| || |||||||||||||| | | | || ||||||||||||||||||| FD.PIVLLL..GR..EYGFLVRGLGTVAA.E.V.Y.DI.LAKPQIDAAIRKVVDRVNN ------320-------330-------340-------350-------360---------
Dihedral angle restraints
-------20--------30--------40--------50--------60--------70--------80--------90-------100-------110- KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA ||||||| ||||||||||||||||| |||||||||||||||||||||| |||||||||||| ....RSVFLAG..............SAEQLPFLTLIEHFEKQ..................TPEECTPLDQLEIRKADVFVAI......PGTHVEIGWASA -------20--------30--------40--------50--------60--------70--------80--------90-------100-------110- ------120-------130-------140-------150-------160-------170---- FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP | ||||||| ||||||||||| ||||||||||||||||||||||||||||||| F..PIVLLLE..REEEYGFLVRG...VAAVEFVHYKDIALAKPQIDAAIRKVVDRVN ------120-------130-------140-------150-------160--------
------220-------230-------240-------250-------260-------270-------280-------290-------300-------310- KAGVRSVFLAGPFMGLVNPETNSMPSAEQLPFLTLIEHFEKQGLEVFNAHRREAWGAQVLTPEECTPLDQLEIRKADVFVAIPGIPPSPGTHVEIGWASA ||||||| ||||||||||||||||| |||||||||||||||||||||| |||||||||||| ....RSVFLAG..............SAEQLPFLTLIEHFEKQ..................TPEECTPLDQLEIRKADVFVAI......PGTHVEIGWASA ------220-------230-------240-------250-------260-------270-------280-------290-------300-------310- ------320-------330-------340-------350-------360-------370---- FDKPIVLLLEEGREEEYGFLVRGLGTVAAVEFVHYKDIALAKPQIDAAIRKVVDRVNNPAATP ||||||| ||||||||||| ||||||||||||||||||||||||||||||| ...PIVLLLE..REEEYGFLVRG...VAAVEFVHYKDIALAKPQIDAAIRKVVDRVN ------320-------330-------340-------350-------360--------