Solution structure of BOLA1 from Homo sapiens
GIDPFTQGSA GSGAIGPVEA AIRTKLEEAL SPEVLELRNE SGGHAVPPGS ETHFRVAVVS SRFEGLSPLQ RHRLVHAALA EELGGPVHAL AIQARTPAQW RENSQLDTSP PCLGGNKKTL GTP
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.8 % (1227 of 1336) | 93.1 % (645 of 693) | 88.9 % (464 of 522) | 97.5 % (118 of 121) |
Backbone | 95.8 % (686 of 716) | 95.6 % (238 of 249) | 95.2 % (338 of 355) | 98.2 % (110 of 112) |
Sidechain | 88.6 % (646 of 729) | 91.7 % (407 of 444) | 83.7 % (231 of 276) | 88.9 % (8 of 9) |
Aromatic | 43.5 % (27 of 62) | 80.6 % (25 of 31) | 3.3 % (1 of 30) | 100.0 % (1 of 1) |
Methyl | 94.4 % (134 of 142) | 94.4 % (67 of 71) | 94.4 % (67 of 71) |
1. BolA-like protein 1
GIDPFTQGSA GSGAIGPVEA AIRTKLEEAL SPEVLELRNE SGGHAVPPGS ETHFRVAVVS SRFEGLSPLQ RHRLVHAALA EELGGPVHAL AIQARTPAQW RENSQLDTSP PCLGGNKKTL GTPSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 5 mM | |
2 | mitochondrial BOLA1 protein | [U-100% 15N] | 1 mM | |
3 | potassium phosphate | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | 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 | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 5 mM | |
2 | mitochondrial BOLA1 protein | [U-100% 15N] | 1 mM | |
3 | potassium phosphate | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 900 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | DTT | natural abundance | 5 mM | |
7 | mitochondrial BOLA1 protein | [U-100% 13C; U-100% 15N] | 1 mM | |
8 | potassium phosphate | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 5 mM | |
2 | mitochondrial BOLA1 protein | [U-100% 15N] | 1 mM | |
3 | potassium phosphate | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 950 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 5 mM | |
2 | mitochondrial BOLA1 protein | [U-100% 15N] | 1 mM | |
3 | potassium phosphate | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 900 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DTT | natural abundance | 5 mM | |
2 | mitochondrial BOLA1 protein | [U-100% 15N] | 1 mM | |
3 | potassium phosphate | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_34013_5lci.nef |
Input source #2: Coordindates | 5lci.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---- GIDPFTQGSAGSGAIGPVEAAIRTKLEEALSPEVLELRNESGGHAVPPGSETHFRVAVVSSRFEGLSPLQRHRLVHAALAEELGGPVHALAIQARTPAQW |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GIDPFTQGSAGSGAIGPVEAAIRTKLEEALSPEVLELRNESGGHAVPPGSETHFRVAVVSSRFEGLSPLQRHRLVHAALAEELGGPVHALAIQARTPAQW --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ---120-------130------- RENSQLDTSPPCLGGNKKTLGTP ||||||||||||||||||||||| RENSQLDTSPPCLGGNKKTLGTP -------110-------120---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 123 | 0 | 0 | 100.0 |
Content subtype: combined_34013_5lci.nef
Assigned chemical shifts
----20--------30--------40--------50--------60--------70--------80--------90-------100-------110---- GIDPFTQGSAGSGAIGPVEAAIRTKLEEALSPEVLELRNESGGHAVPPGSETHFRVAVVSSRFEGLSPLQRHRLVHAALAEELGGPVHALAIQARTPAQW ||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||| |||||||||||||||||||||||||||||||| .IDPFTQGSAGSGAIGPVEAAIRTKLEEALSPEVLELRNESGGHAV.PGSETHFRVAVVSSRFEGLS.LQRHRLVHAALAEELGGPVHALAIQARTPAQW ----20--------30--------40--------50--------60--------70--------80--------90-------100-------110---- ---120-------130------- RENSQLDTSPPCLGGNKKTLGTP ||||||||| |||||||||||| RENSQLDTS.PCLGGNKKTLGT ---120-------130------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
58 | HIS | ND1 | 205.549 |
58 | HIS | NE2 | 177.86 |
67 | HIS | ND1 | 217.336 |
67 | HIS | NE2 | 175.652 |
86 | HIS | ND1 | 216.185 |
86 | HIS | NE2 | 193.886 |
90 | HIS | ND1 | 223.905 |
90 | HIS | NE2 | 187.512 |
102 | HIS | ND1 | 205.591 |
102 | HIS | NE2 | 178.301 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 693 | 640 | 92.4 |
13C chemical shifts | 522 | 465 | 89.1 |
15N chemical shifts | 129 | 116 | 89.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 249 | 240 | 96.4 |
13C chemical shifts | 246 | 234 | 95.1 |
15N chemical shifts | 112 | 109 | 97.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 444 | 400 | 90.1 |
13C chemical shifts | 276 | 231 | 83.7 |
15N chemical shifts | 17 | 7 | 41.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 71 | 69 | 97.2 |
13C chemical shifts | 71 | 69 | 97.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 31 | 27 | 87.1 |
13C chemical shifts | 30 | 0 | 0.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
----20--------30--------40--------50--------60--------70--------80--------90-------100-------110---- GIDPFTQGSAGSGAIGPVEAAIRTKLEEALSPEVLELRNESGGHAVPPGSETHFRVAVVSSRFEGLSPLQRHRLVHAALAEELGGPVHALAIQARTPAQW ||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||| |||||||||||||||||||||||||||||||| .IDPFTQGSAGSGAIGPVEAAIRTKLEEALSPEVLELRNESGGHAV.PGSETHFRVAVVSSRFEGLS.LQRHRLVHAALAEELGGPVHALAIQARTPAQW ----20--------30--------40--------50--------60--------70--------80--------90-------100-------110---- ---120-------130------- RENSQLDTSPPCLGGNKKTLGTP ||||||||| ||| |||||| RENSQLDTS..CLG..KKTLGT ---120-------130------
Dihedral angle restraints
----20--------30--------40--------50--------60--------70--------80--------90-------100-------110---- GIDPFTQGSAGSGAIGPVEAAIRTKLEEALSPEVLELRNESGGHAVPPGSETHFRVAVVSSRFEGLSPLQRHRLVHAALAEELGGPVHALAIQARTPAQW ||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||| ||||||||||||||| ................PVEAAIRTKLEEALSPEVLELRNESGG...PPGSETHFRVAVVSSRFEGLSPLQRHRLVHAALAEELG.PVHALAIQARTPAQW ----20--------30--------40--------50--------60--------70--------80--------90-------100-------110---- ---120-------130------- RENSQLDTSPPCLGGNKKTLGTP |||| RENS ----